Searched refs:rho_elec_gspace (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | xray_diffraction.F | 526 TYPE(pw_p_type) :: rho_elec_gspace local 576 pw=rho_elec_gspace%pw, & 583 CALL pw_zero(rho_elec_gspace%pw) 584 CALL pw_transfer(rho_r(ispin)%pw, rho_elec_gspace%pw, debug=.FALSE.) 590 CALL pw_axpy(rho_elec_gspace%pw, rhotot_elec_gspace%pw, alpha=alpha) 597 pw=rho_elec_gspace%pw)
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H A D | qs_scf_post_gpw.F | 1794 TYPE(pw_p_type) :: aux_g, aux_r, rho_elec_gspace, & local 2017 pw=rho_elec_gspace%pw, & 2020 CALL pw_zero(rho_elec_gspace%pw) 2021 CALL get_pw_grid_info(pw_grid=rho_elec_gspace%pw%pw_grid, & 2027 rhotot_elec_gspace=rho_elec_gspace, & 2032 CALL get_pw_grid_info(pw_grid=rho_elec_gspace%pw%pw_grid, & 2034 CALL pw_transfer(rho_elec_gspace%pw, rho_elec_rspace%pw, debug=.FALSE.) 2065 CALL pw_zero(rho_elec_gspace%pw) 2069 rhotot_elec_gspace=rho_elec_gspace, & 2075 CALL pw_transfer(rho_elec_gspace%pw, rho_elec_rspace%pw, debug=.FALSE.) [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | xray_diffraction.F | 527 TYPE(pw_p_type) :: rho_elec_gspace local 577 pw=rho_elec_gspace%pw, & 584 CALL pw_zero(rho_elec_gspace%pw) 585 CALL pw_transfer(rho_r(ispin)%pw, rho_elec_gspace%pw, debug=.FALSE.) 591 CALL pw_axpy(rho_elec_gspace%pw, rhotot_elec_gspace%pw, alpha=alpha) 598 pw=rho_elec_gspace%pw)
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H A D | qs_scf_post_gpw.F | 1850 TYPE(pw_p_type) :: aux_g, aux_r, rho_elec_gspace, & local 2073 pw=rho_elec_gspace%pw, & 2076 CALL pw_zero(rho_elec_gspace%pw) 2077 CALL get_pw_grid_info(pw_grid=rho_elec_gspace%pw%pw_grid, & 2083 rhotot_elec_gspace=rho_elec_gspace, & 2088 CALL get_pw_grid_info(pw_grid=rho_elec_gspace%pw%pw_grid, & 2090 CALL pw_transfer(rho_elec_gspace%pw, rho_elec_rspace%pw, debug=.FALSE.) 2121 CALL pw_zero(rho_elec_gspace%pw) 2125 rhotot_elec_gspace=rho_elec_gspace, & 2131 CALL pw_transfer(rho_elec_gspace%pw, rho_elec_rspace%pw, debug=.FALSE.) [all …]
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