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nwchem/74936fb92aec6990ce48bf334747215813684576.tar.gz |
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nwchem/b85d2e8a074102d8fdb456a92c5295c5d04a7f91.patch |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576-SPECPARTS |
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nwchem/sources |
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nwchem/util_fadvise_6.6.27746.patch |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576 |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.gitlab-ci.yml |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.travis.yml |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/INSTALL |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/INSTALL.binbuilds |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/LICENSE.TXT |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/README.md |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/release.notes.3.2.1 |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/ISSUE_TEMPLATE |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/ISSUE_TEMPLATE/bug_report.md |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/ISSUE_TEMPLATE/config.yml |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/ISSUE_TEMPLATE/feature_request.md |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/workflows |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/workflows/check_64_to_32.yml |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/workflows/clear_cache.yml |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/workflows/docker_actions.yml |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/workflows/github_actions.yml |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/.github/workflows/lint_python.yml |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/add_Id |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/baker_ts |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/baker_ts/acrolein.nw |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/baker_ts/cyclopropyl.nw |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/contrib/basissets/Dyall |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/GNUmakefile |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_cavity.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_civecs_read.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_common.fh |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_coords_vels.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_coup.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_driver.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_elec_prop.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_energy.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_ext.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_fix_momentum.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_freeze_inactive.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_geom_store.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_gradient.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_init.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_kinetic.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_main.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_move_civecs.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_property.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_ran1.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_randomize.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_read_rst.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_set_den.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_thermostat.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/qmd_write_rst.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/README |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/README_plumed.md |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmd/task_qmd.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm/GNUmakefile |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/qmmm/mm_interface.F |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rdmft/recycling/wfn1/blas/double |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rdmft/recycling/wfn1/blas/double/intf_wfn1_ad_dsyr2.fh |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rdmft/recycling/wfn1/lapack |
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nwchem/nwchem-74936fb92aec6990ce48bf334747215813684576/src/rdmft/recycling/wfn1/lapack/double |
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