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mpqc/bash-script-noarch |
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mpqc/mpqc-2.3.1-cpp11-constexpr.patch |
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mpqc/mpqc-2.3.1-format-security.patch |
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mpqc/mpqc-2.3.1-mdv-fix-wfn-lib.patch |
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mpqc/mpqc.spec |
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mpqc/sources |
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mpqc/mpqc-2.3.1 |
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mpqc/mpqc-2.3.1/aclocal.m4 |
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mpqc/mpqc-2.3.1/CHANGES |
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mpqc/mpqc-2.3.1/CITATION |
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mpqc/mpqc-2.3.1/configure |
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mpqc/mpqc-2.3.1/configure.ac |
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mpqc/mpqc-2.3.1/COPYING |
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mpqc/mpqc-2.3.1/COPYING.LIB |
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mpqc/mpqc-2.3.1/LICENSE |
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mpqc/mpqc-2.3.1/Makefile |
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mpqc/mpqc-2.3.1/molrender.desktop |
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mpqc/mpqc-2.3.1/README |
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mpqc/mpqc-2.3.1/bin |
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mpqc/mpqc-2.3.1/bin/convertbasis.pl |
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mpqc/mpqc-2.3.1/bin/install-sh |
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mpqc/mpqc-2.3.1/bin/listlibs.pl |
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mpqc/mpqc-2.3.1/bin/ltmain.sh |
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mpqc/mpqc-2.3.1/bin/mkf77sym.pl.in |
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mpqc/mpqc-2.3.1/bin/sc-libtool.dox |
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mpqc/mpqc-2.3.1/doc |
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mpqc/mpqc-2.3.1/doc/compile.dox |
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mpqc/mpqc-2.3.1/doc/develop.dox |
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mpqc/mpqc-2.3.1/doc/download.dox |
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mpqc/mpqc-2.3.1/doc/doxygen.cfg.in |
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mpqc/mpqc-2.3.1/doc/footer.html |
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mpqc/mpqc-2.3.1/doc/Makefile |
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mpqc/mpqc-2.3.1/doc/overview.dox |
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mpqc/mpqc-2.3.1/doc/sf_footer.html |
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mpqc/mpqc-2.3.1/doc/srctree.dox |
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mpqc/mpqc-2.3.1/doc/top.dox |
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mpqc/mpqc-2.3.1/doc/devsamp |
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mpqc/mpqc-2.3.1/doc/devsamp/Makefile |
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mpqc/mpqc-2.3.1/doc/devsamp/mp2.cc |
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mpqc/mpqc-2.3.1/include |
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mpqc/mpqc-2.3.1/include/FlexLexer.h |
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mpqc/mpqc-2.3.1/lib |
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mpqc/mpqc-2.3.1/lib/atominfo.kv |
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mpqc/mpqc-2.3.1/lib/GlobalMakefile |
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mpqc/mpqc-2.3.1/lib/GlobalRules |
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mpqc/mpqc-2.3.1/lib/GlobalSubDirs |
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mpqc/mpqc-2.3.1/lib/LocalMakefile.in |
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mpqc/mpqc-2.3.1/lib/magic |
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mpqc/mpqc-2.3.1/lib/README.make |
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mpqc/mpqc-2.3.1/lib/autoconf |
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mpqc/mpqc-2.3.1/lib/autoconf/acinclude.m4 |
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mpqc/mpqc-2.3.1/lib/basis/3-21g.kv |
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mpqc/mpqc-2.3.1/lib/basis/3-21gS.kv |
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mpqc/mpqc-2.3.1/lib/basis/4-31g.kv |
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mpqc/mpqc-2.3.1/lib/basis/6-311g.kv |
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mpqc/mpqc-2.3.1/lib/basis/6-311gL2df_2pdR.kv |
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mpqc/mpqc-2.3.1/lib/basis/6-311gS.kv |
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mpqc/mpqc-2.3.1/lib/basis/6-311gSS.kv |
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mpqc/mpqc-2.3.1/lib/basis/6-311PPgL2d_2pR.kv |
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mpqc/mpqc-2.3.1/lib/basis/6-311PPgL3df_3pdR.kv |
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mpqc/mpqc-2.3.1/lib/basis/6-31g.kv |
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mpqc/mpqc-2.3.1/lib/basis/6-31PPg.kv |
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mpqc/mpqc-2.3.1/lib/basis/aug-cc-pcv5z.kv |
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mpqc/mpqc-2.3.1/lib/basis/aug-cc-pcvdz.kv |
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mpqc/mpqc-2.3.1/lib/basis/dz_LdunningR.kv |
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mpqc/mpqc-2.3.1/lib/basis/dzp_LdunningR.kv |
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mpqc/mpqc-2.3.1/lib/basis/dzp_P_diffuse_LdunningR.kv |
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mpqc/mpqc-2.3.1/lib/basis/Makefile |
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mpqc/mpqc-2.3.1/lib/basis/midi_LhuzinagaR.kv |
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mpqc/mpqc-2.3.1/lib/basis/mini_LhuzinagaR.kv |
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mpqc/mpqc-2.3.1/lib/basis/mini_LscaledR.kv |
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mpqc/mpqc-2.3.1/lib/basis/nasa_ames_ano.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-0-aug.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-0.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-1-aug.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-1.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-2-aug.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-2.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-3-aug.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-3.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-4-aug.kv |
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mpqc/mpqc-2.3.1/lib/basis/pc-4.kv |
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mpqc/mpqc-2.3.1/lib/basis/sto-2g.kv |
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mpqc/mpqc-2.3.1/lib/basis/sto-3g.kv |
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mpqc/mpqc-2.3.1/lib/basis/sto-3gS.kv |
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mpqc/mpqc-2.3.1/lib/basis/sto-6g.kv |
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mpqc/mpqc-2.3.1/lib/basis/tz_LdunningR.kv |
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mpqc/mpqc-2.3.1/lib/cca |
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mpqc/mpqc-2.3.1/lib/cca/components.cca.in |
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mpqc/mpqc-2.3.1/lib/cca/Makefile |
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mpqc/mpqc-2.3.1/lib/cca/sidl |
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mpqc/mpqc-2.3.1/lib/cca/sidl/chemistry-mpqc.sidl |
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mpqc/mpqc-2.3.1/lib/elisp |
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mpqc/mpqc-2.3.1/lib/elisp/compile.el |
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mpqc/mpqc-2.3.1/lib/elisp/keyval.el |
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mpqc/mpqc-2.3.1/lib/elisp/Makefile |
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mpqc/mpqc-2.3.1/lib/elisp/mpqc.el |
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mpqc/mpqc-2.3.1/lib/elisp/SC.el |
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mpqc/mpqc-2.3.1/lib/perl |
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mpqc/mpqc-2.3.1/lib/perl/AtomicBases.pm |
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mpqc/mpqc-2.3.1/lib/perl/AtomicBasis.pm |
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mpqc/mpqc-2.3.1/lib/perl/Makefile |
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mpqc/mpqc-2.3.1/lib/perl/Molecule.pm |
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mpqc/mpqc-2.3.1/lib/perl/QCParse.pm |
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mpqc/mpqc-2.3.1/lib/perl/QCResult.pm |
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mpqc/mpqc-2.3.1/src |
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mpqc/mpqc-2.3.1/src/Makefile |
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mpqc/mpqc-2.3.1/src/bin |
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mpqc/mpqc-2.3.1/src/bin/Makefile |
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mpqc/mpqc-2.3.1/src/bin/molrender |
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mpqc/mpqc-2.3.1/src/bin/molrender/LIBS.h |
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mpqc/mpqc-2.3.1/src/bin/molrender/main.cc |
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mpqc/mpqc-2.3.1/src/bin/molrender/Makefile |
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mpqc/mpqc-2.3.1/src/bin/molrender/molrender.dox |
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mpqc/mpqc-2.3.1/src/bin/molrender/molrender.in |
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mpqc/mpqc-2.3.1/src/bin/molrender/tkmolrender.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc |
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mpqc/mpqc-2.3.1/src/bin/mpqc/ccarun.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/ccarunproc |
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mpqc/mpqc-2.3.1/src/bin/mpqc/LIBS.h |
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mpqc/mpqc-2.3.1/src/bin/mpqc/Makefile |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqc.cc |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqc.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqccomp.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcin.cc |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcin.h |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcinp.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqclic.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcoo.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcover.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcrun.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcrun.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcrunning.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcrunproc |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcsimp.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcval.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/mpqcwar.dox |
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mpqc/mpqc-2.3.1/src/bin/mpqc/parse.cc |
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mpqc/mpqc-2.3.1/src/bin/mpqc/parse.h |
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mpqc/mpqc-2.3.1/src/bin/mpqc/parse.yy |
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mpqc/mpqc-2.3.1/src/bin/mpqc/scan.cc |
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mpqc/mpqc-2.3.1/src/bin/mpqc/scan.ll |
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mpqc/mpqc-2.3.1/src/bin/mpqc/version.h |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/fixed.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/hbondopt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/mancoor.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/mp2.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/mp2r12.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/mp2r12ckpt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/newton.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/savestate_0_scf.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/sample/savestate_1_mp2.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/basis1.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/basis2.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ccacints.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ccaintv3.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/checkccaout.pl |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/checkout.pl |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/clscf.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/dft.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/h2o.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/h2ofrq.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/h2omp2.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/hsosscf.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/makeccain.pl.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/Makefile |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/makein.pl |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mp2r12.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/opt.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/optts.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/orthog.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/symm1.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/symm2.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/symm3.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/uscf.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clksb3lyp.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clksbp86.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkshfg96.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkskmlyp.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkskmlyp.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clksmpwpw91.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkspbe.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkspw91.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clksspz81.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkssvwn1.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkssvwn1rpa.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkssvwn2.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkssvwn3.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkssvwn4.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clkssvwn5.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clksxalpha.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clscf.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0clscf.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0efcopt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0efcopt.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0hsosksxalpha.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0hsosscf.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0hsosscf.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0mp2.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0mp2.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0qnewtopt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0qnewtopt.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0uksxalpha.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0zapt2.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_0zapt2.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clksb3lyp.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clksblyp.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clksbp86.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkshfg96.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkskmlyp.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkskmlyp.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clksmpwpw91.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkspbe.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkspw91.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clksspz81.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn1.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn1rpa.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn4.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn5.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clksxalpha.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clscf.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1clscf.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1efcopt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1efcopt.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1hsosksxalpha.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1hsosscf.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1mp2.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_1uksxalpha.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_2efcopt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_2efcopt.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_2qnewtopt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clksb3lyp.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clksbp86.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clkshfg96.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clksmpwpw91.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clkspbe.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clkspw91.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clksspz81.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clkssvwn1.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/ckpt_clkssvwn1rpa.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/energy.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ckpt/gradient.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/input/hfch2opt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2mem.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_dyn.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_dyn.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_mp.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_mp.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_c6h6_multipass.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_c6h6_multipass.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_dyn.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_dyn.qci |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1clkspw91.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1clkspw91.out |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1clkssvwn4.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1clkssvwn5.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1clksxalpha.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1clksxalpha.out |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1clscf.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1clscf.out |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1efcopt.in |
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mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/ckpt_1hsosksxalpha.in |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_GaussianBasis_Molecular_Impl.hh |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_GaussianBasis_Shell_Impl.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_GaussianBasis_Shell_Impl.hh |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_IntegralEvaluator2_Impl.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_IntegralEvaluator2_Impl.hh |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_IntegralEvaluator3_Impl.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_IntegralEvaluator3_Impl.hh |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_IntegralEvaluator4_Impl.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_IntegralEvaluator4_Impl.hh |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_IntegralEvaluatorFactory_Impl.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_IntegralEvaluatorFactory_Impl.hh |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_Physics_Units_Impl.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_Physics_Units_Impl.hh |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_SimpleDriver_Impl.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/MPQC_SimpleDriver_Impl.hh |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/mpqccomponents.dox |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/socket.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/cca/socket.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/atominfo.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/atominfo.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/cartcoor.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/coor.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/coor.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/energy.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/energy.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/fdhess.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/fdhess.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/formula.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/hess.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/hess.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/imcoor.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/linip.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/linkage.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/linop.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/Makefile |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/molecule.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/molfreq.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/molrender.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/molrender.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/molshape.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/molshape.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/molsymm.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/moltest.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/moltest.in |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/out.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/redund.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/simple.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/simple.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/stors.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/stre.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/symmcoor.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/symmetrize.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/taylor.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/Makefile |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/aotoso.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/btest.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/cartiter.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/cartiter.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/dercent.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/sointegral.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/sointegral.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/symmint.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/tbint.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/tbint.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/cartit.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/equadrupole.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/grt.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/grt.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/hcore.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/kinetic.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/linkage.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/macros.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/Makefile |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/nuclear.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/obosrr.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/overlap.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/permute2e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/primpairs.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/primpairs.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/shellpairs.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/shellpairs.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/static.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/storage.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/storage.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/tform.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/cints/tform.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/build2e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/cartitv3.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/comp1e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/comp2e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/comp2e3c.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/fjt.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/fjt.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/fjttest.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/flags.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/init2e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/int1e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/int1e.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/int2e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/int2e.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/inttest.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/inttest.in |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/intv3.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/intv3.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/macros.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/Makefile |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/obintv3.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/obintv3.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/offsets.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/print2e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/shift2e.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/storage.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/storage.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/store.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/tbintv3.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/tbintv3.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/tformv3.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/tformv3.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/types.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/intv3/utils.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/bzerofast.c |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/bzerofast.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/cscphf.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/csgmat.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/csgrad.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/csgrad34qb.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/csgrad34qb.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/csgrade12.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/csgrade12.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/csgrads2pdm.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/csgrads2pdm.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/hsosv1.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/hsosv1e1.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/hsosv1e1.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/hsosv2.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/hsosv2lb.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/linkage.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/Makefile |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/mbpt.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/mbpt.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/mbpttest.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/mbpttest.in |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/mp2extrap.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/mp2extrap.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/util.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/util.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12 |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/blas.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_a_gebc.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_a_gebc_abs1.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_a_gebc_vbs.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_amps.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_energy_a.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_ijxy.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_ikjy.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_ixjy.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_vxb_a_asymm.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/compute_vxb_a_symm.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/coulomb.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/dualbasis_mp2.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/ebc_contribs.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/exchange.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/f77sym.in |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/fock.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/gbc_contribs.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/lapack.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/linearr12.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/linkage.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/Makefile |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/mbptr12.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/mbptr12.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/mbptr12test.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/mbptr12test.in |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/moindexspace.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/moindexspace.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/mp2r12_energy.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/mp2r12_energy.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/multipole_ints.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/pairiter.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/print_scmat_norms.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12_amps.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12_amps.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12ia.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12ia.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12ia_memgrp.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12ia_memgrp.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12ia_mpiiofile.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12ia_mpiiofile.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12ia_node0file.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12ia_node0file.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12int_eval.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/r12int_eval.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/ri_basis.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/svd.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/svd.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_123inds.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_123inds.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_12inds.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_12inds.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_13inds.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_factory.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_factory.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_ijxy.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_ijxy.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_ikjy.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_ikjy.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_ixjy.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_ixjy.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_tbint.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_tbint.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_tbint.h.cpp11 |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/twobodygrid.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/twobodygrid.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/vxb_eval_info.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/vxb_eval_info.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3 |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/build.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/build.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i0100.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i0100AB.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i0101.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i0101AB.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i0111.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i0200.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i0200AB.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i0201.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i2200.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i2201.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i2222.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i2300.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i2311.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i2322.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i2333.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i3300.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/i3302.cc |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/Makefile |
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mpqc/mpqc-2.3.1/src/lib/chemistry/qc/psi/mpqcpsi.dox |
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mpqc/mpqc-2.3.1/src/lib/math/optimize/scextest.cc |
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mpqc/mpqc-2.3.1/src/lib/math/optimize/scextrapmat.h |
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mpqc/mpqc-2.3.1/src/lib/math/optimize/steep.cc |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/abstract.cc |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/abstract.h |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/blockeddiag.cc |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/blockedrect.cc |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/blockedsymm.cc |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/blockedtest.cc |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/disthql.cc |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/distrect.cc |
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mpqc/mpqc-2.3.1/src/lib/math/scmat/distsymm.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/ipv2_karray.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/ipv2_parse.yy |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/ipv2_print.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/ipv2_read.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/ipv2_scan.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/ipv2_scan.h |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/ipv2_scan.ll |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyval.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyval.dox |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyval.h |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyvalagg.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyvalass.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyvalipv2.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyvalpre.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyvalstr.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyvaltest.cc |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/keyvalval.h |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/util/keyval/Makefile |
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mpqc/mpqc-2.3.1/src/lib/util/misc/autovec.h |
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mpqc/mpqc-2.3.1/src/lib/util/misc/autovectest.cc |
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mpqc/mpqc-2.3.1/src/lib/util/misc/ccaenv.cc |
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mpqc/mpqc-2.3.1/src/lib/util/misc/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/util/misc/Makefile |
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mpqc/mpqc-2.3.1/src/lib/util/misc/math.h |
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mpqc/mpqc-2.3.1/src/lib/util/misc/newstring.h |
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mpqc/mpqc-2.3.1/src/lib/util/misc/string.h |
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mpqc/mpqc-2.3.1/src/lib/util/misc/timer.h |
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mpqc/mpqc-2.3.1/src/lib/util/options/GetLongOpt.3 |
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mpqc/mpqc-2.3.1/src/lib/util/options/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/util/options/README.cc |
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mpqc/mpqc-2.3.1/src/lib/util/options/sample.runs |
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mpqc/mpqc-2.3.1/src/lib/util/psi3/Makefile |
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mpqc/mpqc-2.3.1/src/lib/util/psi3/libpsio/close.cc |
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mpqc/mpqc-2.3.1/src/lib/util/psi3/libpsio/get_global_address.cc |
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mpqc/mpqc-2.3.1/src/lib/util/ref |
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mpqc/mpqc-2.3.1/src/lib/util/ref/identity.cc |
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mpqc/mpqc-2.3.1/src/lib/util/ref/identity.h |
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mpqc/mpqc-2.3.1/src/lib/util/ref/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/util/ref/Makefile |
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mpqc/mpqc-2.3.1/src/lib/util/ref/ref.cc |
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mpqc/mpqc-2.3.1/src/lib/util/ref/ref.dox |
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mpqc/mpqc-2.3.1/src/lib/util/ref/ref.h |
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mpqc/mpqc-2.3.1/src/lib/util/ref/reftest.cc |
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mpqc/mpqc-2.3.1/src/lib/util/ref/reftestx.cc |
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mpqc/mpqc-2.3.1/src/lib/util/ref/reftestx.h |
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mpqc/mpqc-2.3.1/src/lib/util/render |
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mpqc/mpqc-2.3.1/src/lib/util/render/algebra3.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/algebra3.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/animate.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/animate.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/appearance.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/appearance.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/color.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/color.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/find.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/linkage.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/Makefile |
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mpqc/mpqc-2.3.1/src/lib/util/render/material.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/material.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/object.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/object.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/oogl.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/oogl.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/parameter.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/polygons.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/polygons.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/polylines.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/polylines.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/polysphere.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/polysphere.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/render.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/render.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/rentest.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/rentest.in |
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mpqc/mpqc-2.3.1/src/lib/util/render/sphere.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/sphere.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/stack.h |
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mpqc/mpqc-2.3.1/src/lib/util/render/tempinst.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/transform.cc |
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mpqc/mpqc-2.3.1/src/lib/util/render/transform.h |
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mpqc/mpqc-2.3.1/src/lib/util/state |
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mpqc/mpqc-2.3.1/src/lib/util/state/LIBS.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/linkage.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/Makefile |
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mpqc/mpqc-2.3.1/src/lib/util/state/proxy.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/proxy.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/state.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/state.dox |
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mpqc/mpqc-2.3.1/src/lib/util/state/state.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/state_bin.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/state_bin.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/state_file.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/state_file.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/state_text.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/state_text.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/statein.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/statein.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/stateio.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/stateout.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/stateout.h |
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mpqc/mpqc-2.3.1/src/lib/util/state/statetest.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/statetest.in |
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mpqc/mpqc-2.3.1/src/lib/util/state/tmplinst.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/translate.cc |
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mpqc/mpqc-2.3.1/src/lib/util/state/translate.h |
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