Searched refs:kpoint_section (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | kpoint_types.F | 505 SUBROUTINE read_kpoint_section(kpoint, kpoint_section, a_vec) argument 507 TYPE(section_vals_type), POINTER :: kpoint_section local 523 CALL section_vals_get(kpoint_section, explicit=available) 526 CALL section_vals_val_get(kpoint_section, "SCHEME", c_vals=tmpstringlist) 552 CALL section_vals_val_get(kpoint_section, "UNITS", c_val=ustr) 554 CALL section_vals_val_get(kpoint_section, "KPOINT", n_rep_val=n_rep) 558 CALL section_vals_val_get(kpoint_section, "KPOINT", i_rep_val=i, & 585 CALL section_vals_val_get(kpoint_section, "WAVEFUNCTIONS", i_val=wfntype) 586 CALL section_vals_val_get(kpoint_section, "VERBOSE", l_val=kpoint%verbose) 588 CALL section_vals_val_get(kpoint_section, "EPS_GEO", r_val=kpoint%eps_geo) [all …]
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H A D | qs_environment.F | 278 hfx_section, kpoint_section, & local 282 qs_kind_set, kpoint_section, dft_section, & 362 kpoint_section => section_vals_get_subs_vals(qs_env%input, "DFT%KPOINTS") 363 CALL read_kpoint_section(kpoints, kpoint_section, my_cell%hmat)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | kpoint_types.F | 505 SUBROUTINE read_kpoint_section(kpoint, kpoint_section, a_vec) argument 507 TYPE(section_vals_type), POINTER :: kpoint_section local 523 CALL section_vals_get(kpoint_section, explicit=available) 526 CALL section_vals_val_get(kpoint_section, "SCHEME", c_vals=tmpstringlist) 552 CALL section_vals_val_get(kpoint_section, "UNITS", c_val=ustr) 554 CALL section_vals_val_get(kpoint_section, "KPOINT", n_rep_val=n_rep) 558 CALL section_vals_val_get(kpoint_section, "KPOINT", i_rep_val=i, & 585 CALL section_vals_val_get(kpoint_section, "WAVEFUNCTIONS", i_val=wfntype) 586 CALL section_vals_val_get(kpoint_section, "VERBOSE", l_val=kpoint%verbose) 588 CALL section_vals_val_get(kpoint_section, "EPS_GEO", r_val=kpoint%eps_geo) [all …]
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H A D | qs_environment.F | 269 hfx_section, kpoint_section, & local 273 qs_kind_set, kpoint_section, dft_section, & 353 kpoint_section => section_vals_get_subs_vals(qs_env%input, "DFT%KPOINTS") 354 CALL read_kpoint_section(kpoints, kpoint_section, my_cell%hmat)
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