Searched refs:set_mc_par (Results 1 – 14 of 14) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/mc/ |
H A D | mc_run.F | 67 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, &
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H A D | mc_control.F | 42 set_mc_par 315 CALL set_mc_par(mc_par, nstart=nstart)
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H A D | mc_move_control.F | 21 set_mc_par 692 CALL set_mc_par(mc_par, rmbond=rmbond, rmangle=rmangle, rmrot=rmrot, &
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H A D | mc_ge_moves.F | 46 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)
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H A D | mc_types.F | 67 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
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H A D | mc_ensembles.F | 74 set_mc_par 418 CALL set_mc_par(mc_par(ibox)%mc_par, cl=cl(ibox), rm=rm(ibox), &
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H A D | tamc_run.F | 81 set_mc_par 339 CALL set_mc_par(mc_par, ensemble=ensemble, nstep=nmccycles, iprint=iprint, temperature=temp, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/mc/ |
H A D | mc_run.F | 67 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, &
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H A D | mc_control.F | 42 set_mc_par 316 CALL set_mc_par(mc_par, nstart=nstart)
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H A D | mc_move_control.F | 21 set_mc_par 692 CALL set_mc_par(mc_par, rmbond=rmbond, rmangle=rmangle, rmrot=rmrot, &
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H A D | mc_ge_moves.F | 46 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)
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H A D | mc_types.F | 67 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
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H A D | mc_ensembles.F | 74 set_mc_par 419 CALL set_mc_par(mc_par(ibox)%mc_par, cl=cl(ibox), rm=rm(ibox), &
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H A D | tamc_run.F | 81 set_mc_par 343 CALL set_mc_par(mc_par, ensemble=ensemble, nstep=nmccycles, iprint=iprint, temperature=temp, &
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