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Searched refs:set_mc_par (Results 1 – 14 of 14) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/
H A Dmc_run.F67 set_mc_par
206 CALL set_mc_par(mc_par(ibox)%mc_par, mc_molecule_info=mc_molecule_info)
232 CALL set_mc_par(mc_par(ibox)%mc_par, mc_input_file=mc_input_file)
238 CALL set_mc_par(mc_par(ibox)%mc_par, mc_bias_file=mc_bias_file)
274 CALL set_mc_par(mc_par(ibox)%mc_par, mc_molecule_info=mc_molecule_info)
390 CALL set_mc_par(mc_par(2)%mc_par, nstep=nstep, iupvolume=iupvolume, iupcltrans=iupcltrans, &
H A Dmc_control.F42 set_mc_par
315 CALL set_mc_par(mc_par, nstart=nstart)
H A Dmc_move_control.F21 set_mc_par
692 CALL set_mc_par(mc_par, rmbond=rmbond, rmangle=rmangle, rmrot=rmrot, &
H A Dmc_ge_moves.F46 mc_simulation_parameters_p_type, set_mc_par
1047 CALL set_mc_par(mc_par(insert_box)%mc_par, mc_molecule_info=mc_molecule_info_test)
1048 CALL set_mc_par(mc_par(remove_box)%mc_par, mc_molecule_info=mc_molecule_info_test)
H A Dmc_types.F67 get_mc_par, set_mc_par, read_mc_section, &
647 SUBROUTINE set_mc_par(mc_par, rm, cl, & subroutine
836 END SUBROUTINE set_mc_par
H A Dmc_ensembles.F74 set_mc_par
418 CALL set_mc_par(mc_par(ibox)%mc_par, cl=cl(ibox), rm=rm(ibox), &
H A Dtamc_run.F81 set_mc_par
339 CALL set_mc_par(mc_par, ensemble=ensemble, nstep=nmccycles, iprint=iprint, temperature=temp, &
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/
H A Dmc_run.F67 set_mc_par
208 CALL set_mc_par(mc_par(ibox)%mc_par, mc_molecule_info=mc_molecule_info)
234 CALL set_mc_par(mc_par(ibox)%mc_par, mc_input_file=mc_input_file)
240 CALL set_mc_par(mc_par(ibox)%mc_par, mc_bias_file=mc_bias_file)
276 CALL set_mc_par(mc_par(ibox)%mc_par, mc_molecule_info=mc_molecule_info)
395 CALL set_mc_par(mc_par(2)%mc_par, nstep=nstep, iupvolume=iupvolume, iupcltrans=iupcltrans, &
H A Dmc_control.F42 set_mc_par
316 CALL set_mc_par(mc_par, nstart=nstart)
H A Dmc_move_control.F21 set_mc_par
692 CALL set_mc_par(mc_par, rmbond=rmbond, rmangle=rmangle, rmrot=rmrot, &
H A Dmc_ge_moves.F46 mc_simulation_parameters_p_type, set_mc_par
1048 CALL set_mc_par(mc_par(insert_box)%mc_par, mc_molecule_info=mc_molecule_info_test)
1049 CALL set_mc_par(mc_par(remove_box)%mc_par, mc_molecule_info=mc_molecule_info_test)
H A Dmc_types.F67 get_mc_par, set_mc_par, read_mc_section, &
647 SUBROUTINE set_mc_par(mc_par, rm, cl, & subroutine
836 END SUBROUTINE set_mc_par
H A Dmc_ensembles.F74 set_mc_par
419 CALL set_mc_par(mc_par(ibox)%mc_par, cl=cl(ibox), rm=rm(ibox), &
H A Dtamc_run.F81 set_mc_par
343 CALL set_mc_par(mc_par, ensemble=ensemble, nstep=nmccycles, iprint=iprint, temperature=temp, &