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Searched refs:rho_elec_gspace (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxray_diffraction.F526 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)
H A Dqs_scf_post_gpw.F1794 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.)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxray_diffraction.F527 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)
H A Dqs_scf_post_gpw.F1850 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.)
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