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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/
H A DTEST_FILES
H A DCH.xyz
H A DCH_dyn_screen.inp
H A DH2O_MD_mme.inp
H A DO2_dyn.inp
H A DH2O_grad_gpw.inp
H A DH2O_grad_mme.inp
H A DH2_H2_no_freeHFX.inp
H A DMOM_MP2_geoopt.inp
H A DO2_dyn_mme.inp
H A DH2O_gas.xyz
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-mp2-grad/
H A DTEST_FILES_RESET
H A DTEST_FILES
H A DO2_dyn.inp
H A DCH.xyz
H A DCH_dyn_screen.inp
H A DH2O_MD_mme.inp
H A DH2O_gas.xyz
H A DH2O_grad_mme.inp
H A DH2_H2_no_freeHFX.inp
H A DMOM_MP2_geoopt.inp
H A DO2_dyn_mme.inp
H A DH2O_grad_gpw.inp