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Searched refs:TAMCSteps (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmetadynamics_types.F122 INTEGER :: TAMCSteps component
H A Dmetadynamics_utils.F139 CALL section_vals_val_get(metadyn_section, "TAMCSteps", i_val=meta_env%TAMCSteps)
140 IF (meta_env%TAMCSteps < 0) THEN
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmetadynamics_types.F123 INTEGER :: TAMCSteps component
H A Dmetadynamics_utils.F139 CALL section_vals_val_get(metadyn_section, "TAMCSteps", i_val=meta_env%TAMCSteps)
140 IF (meta_env%TAMCSteps < 0) THEN
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/TAMC/regtest/
H A Ddimer.inp264 TAMCSteps ${Nz}
/dports/science/cp2k-data/cp2k-7.1.0/tests/TAMC/regtest/
H A Ddimer.inp264 TAMCSteps ${Nz}
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/
H A Dtamc_run.F540 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
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/
H A Dtamc_run.F546 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