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Searched
+path:qs +path:regtest-mp2-grad
(Results
1 – 23
of
23
) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-mp2-grad/
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TEST_FILES
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CH.xyz
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CH_dyn_screen.inp
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H2O_MD_mme.inp
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O2_dyn.inp
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H2O_grad_gpw.inp
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H2O_grad_mme.inp
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H2_H2_no_freeHFX.inp
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MOM_MP2_geoopt.inp
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O2_dyn_mme.inp
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H2O_gas.xyz
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-mp2-grad/
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TEST_FILES_RESET
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TEST_FILES
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O2_dyn.inp
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CH.xyz
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CH_dyn_screen.inp
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D
H2O_MD_mme.inp
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D
H2O_gas.xyz
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D
H2O_grad_mme.inp
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D
H2_H2_no_freeHFX.inp
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MOM_MP2_geoopt.inp
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O2_dyn_mme.inp
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H2O_grad_gpw.inp