/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | input_restart_rng.F | 41 SUBROUTINE section_rng_val_set(rng_section, nsize, ascii) argument 43 TYPE(section_vals_type), POINTER :: rng_section local 56 CPASSERT(ASSOCIATED(rng_section)) 57 CPASSERT(rng_section%ref_count > 0) 61 section => rng_section%section 71 IF (SIZE(rng_section%values, 2) == 1) EXIT 72 CALL section_vals_add_values(rng_section) 75 vals => rng_section%values(ik, 1)%list 112 rng_section%values(ik, 1)%list => vals
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H A D | input_restart_force_eval.F | 99 rng_section, subsys_section local 102 NULLIFY (rng_section, subsys_section, cell_section, virial, subsys, cell, dft_control, work) 134 rng_section => section_vals_get_subs_vals(subsys_section, "RNG_INIT") 135 CALL update_rng_particle(rng_section, force_env) 232 SUBROUTINE update_rng_particle(rng_section, force_env) argument 234 TYPE(section_vals_type), POINTER :: rng_section local 277 CALL section_rng_val_set(rng_section=rng_section, nsize=nparticle, ascii=ascii)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | input_restart_rng.F | 41 SUBROUTINE section_rng_val_set(rng_section, nsize, ascii) argument 43 TYPE(section_vals_type), POINTER :: rng_section local 56 CPASSERT(ASSOCIATED(rng_section)) 57 CPASSERT(rng_section%ref_count > 0) 61 section => rng_section%section 71 IF (SIZE(rng_section%values, 2) == 1) EXIT 72 CALL section_vals_add_values(rng_section) 75 vals => rng_section%values(ik, 1)%list 112 rng_section%values(ik, 1)%list => vals
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H A D | input_restart_force_eval.F | 100 rng_section, subsys_section local 103 NULLIFY (rng_section, subsys_section, cell_section, virial, subsys, cell, dft_control, work) 135 rng_section => section_vals_get_subs_vals(subsys_section, "RNG_INIT") 136 CALL update_rng_particle(rng_section, force_env) 233 SUBROUTINE update_rng_particle(rng_section, force_env) argument 235 TYPE(section_vals_type), POINTER :: rng_section local 279 CALL section_rng_val_set(rng_section=rng_section, nsize=nparticle, ascii=ascii)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | pint_pile.F | 65 TYPE(section_vals_type), POINTER :: rng_section local 105 NULLIFY (rng_section) 106 rng_section => section_vals_get_subs_vals(section, & 108 CALL section_vals_get(rng_section, explicit=explicit) 110 CALL section_vals_val_get(rng_section, "_DEFAULT_KEYWORD_", &
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H A D | pint_piglet.F | 177 TYPE(section_vals_type), POINTER :: rng_section, smalls_section local 277 NULLIFY (rng_section) 278 rng_section => section_vals_get_subs_vals(section, & 280 CALL section_vals_get(rng_section, explicit=explicit) 282 CALL section_vals_val_get(rng_section, "_DEFAULT_KEYWORD_", &
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H A D | pint_qtb.F | 82 TYPE(section_vals_type), POINTER :: rng_section local 127 NULLIFY (rng_section) 128 rng_section => section_vals_get_subs_vals(section, & 130 CALL section_vals_get(rng_section, explicit=restart) 132 CALL section_vals_val_get(rng_section, "_DEFAULT_KEYWORD_", &
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H A D | input_cp2k_restarts.F | 1011 CALL section_rng_val_set(rng_section=tmpsec, nsize=1, & 1018 CALL section_rng_val_set(rng_section=tmpsec, nsize=1, & 1025 CALL section_rng_val_set(rng_section=tmpsec, nsize=1, & 1564 CALL section_rng_val_set(rng_section=work_section, nsize=csvr%glob_num_csvr, ascii=dwork) 1691 CALL section_rng_val_set(rng_section=work_section, nsize=glob_num, ascii=dwork)
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | pint_pile.F | 67 TYPE(section_vals_type), POINTER :: rng_section local 107 NULLIFY (rng_section) 109 rng_section => section_vals_get_subs_vals(section, & 111 CALL section_vals_get(rng_section, explicit=explicit) 113 CALL section_vals_val_get(rng_section, "_DEFAULT_KEYWORD_", &
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H A D | pint_piglet.F | 179 TYPE(section_vals_type), POINTER :: rng_section, smalls_section local 279 NULLIFY (rng_section) 281 rng_section => section_vals_get_subs_vals(section, & 283 CALL section_vals_get(rng_section, explicit=explicit) 285 CALL section_vals_val_get(rng_section, "_DEFAULT_KEYWORD_", &
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H A D | pint_qtb.F | 85 TYPE(section_vals_type), POINTER :: rng_section local 130 NULLIFY (rng_section) 132 rng_section => section_vals_get_subs_vals(section, & 134 CALL section_vals_get(rng_section, explicit=restart) 136 CALL section_vals_val_get(rng_section, "_DEFAULT_KEYWORD_", &
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H A D | input_cp2k_restarts.F | 1014 CALL section_rng_val_set(rng_section=tmpsec, nsize=1, & 1021 CALL section_rng_val_set(rng_section=tmpsec, nsize=1, & 1029 CALL section_rng_val_set(rng_section=tmpsec, nsize=1, & 1569 CALL section_rng_val_set(rng_section=work_section, nsize=csvr%glob_num_csvr, ascii=dwork) 1697 CALL section_rng_val_set(rng_section=work_section, nsize=glob_num, ascii=dwork)
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