Searched refs:TAMCSteps (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | metadynamics_types.F | 122 INTEGER :: TAMCSteps component
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H A D | metadynamics_utils.F | 139 CALL section_vals_val_get(metadyn_section, "TAMCSteps", i_val=meta_env%TAMCSteps) 140 IF (meta_env%TAMCSteps < 0) THEN
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | metadynamics_types.F | 123 INTEGER :: TAMCSteps component
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H A D | metadynamics_utils.F | 139 CALL section_vals_val_get(metadyn_section, "TAMCSteps", i_val=meta_env%TAMCSteps) 140 IF (meta_env%TAMCSteps < 0) THEN
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/TAMC/regtest/ |
H A D | dimer.inp | 264 TAMCSteps ${Nz}
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/dports/science/cp2k-data/cp2k-7.1.0/tests/TAMC/regtest/ |
H A D | dimer.inp | 264 TAMCSteps ${Nz}
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
H A D | tamc_run.F | 540 DO istep = 1, force_env%meta_env%TAMCSteps 555 … CALL cp_iterate(logger%iter_info, last=(istep == force_env%meta_env%TAMCSteps), iter_nr=itimes) 628 rand2skip = rand2skip + nmccycles*force_env%meta_env%TAMCSteps
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
H A D | tamc_run.F | 546 DO istep = 1, force_env%meta_env%TAMCSteps 561 … CALL cp_iterate(logger%iter_info, last=(istep == force_env%meta_env%TAMCSteps), iter_nr=itimes) 634 rand2skip = rand2skip + nmccycles*force_env%meta_env%TAMCSteps
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