rho_elec_rspace (reference) in projects: dports

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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	qs_scf_post_gpw.F	2012 pw=rho_elec_rspace%pw, & 2015 CALL pw_zero(rho_elec_rspace%pw) 2066 CALL pw_zero(rho_elec_rspace%pw) 2106 CALL pw_pool_give_back_pw(auxbas_pw_pool, rho_elec_rspace%pw) 2115 pw=rho_elec_rspace%pw, & 2118 CALL pw_copy(rho_r(1)%pw, rho_elec_rspace%pw) 2119 CALL pw_axpy(rho_r(2)%pw, rho_elec_rspace%pw) 2141 CALL pw_copy(rho_r(1)%pw, rho_elec_rspace%pw) 2142 CALL pw_axpy(rho_r(2)%pw, rho_elec_rspace%pw, alpha=-1.0_dp) 2159 CALL cp_pw_to_cube(rho_elec_rspace%pw, unit_nr, "SPIN DENSITY", & [all …]
H A D	qs_scf_post_tb.F	1067 TYPE(pw_p_type) :: rho_elec_rspace local 1110 pw=rho_elec_rspace%pw, & 1113 CALL pw_copy(rho_r(1)%pw, rho_elec_rspace%pw) 1114 CALL pw_axpy(rho_r(2)%pw, rho_elec_rspace%pw) 1130 CALL cp_pw_to_cube(rho_elec_rspace%pw, unit_nr, "SUM OF ALPHA AND BETA DENSITY", & 1134 CALL pw_copy(rho_r(1)%pw, rho_elec_rspace%pw) 1135 CALL pw_axpy(rho_r(2)%pw, rho_elec_rspace%pw, alpha=-1.0_dp) 1151 CALL cp_pw_to_cube(rho_elec_rspace%pw, unit_nr, "SPIN DENSITY", & 1155 CALL pw_pool_give_back_pw(auxbas_pw_pool, rho_elec_rspace%pw)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	qs_scf_post_gpw.F	2068 pw=rho_elec_rspace%pw, & 2071 CALL pw_zero(rho_elec_rspace%pw) 2122 CALL pw_zero(rho_elec_rspace%pw) 2162 CALL pw_pool_give_back_pw(auxbas_pw_pool, rho_elec_rspace%pw) 2171 pw=rho_elec_rspace%pw, & 2174 CALL pw_copy(rho_r(1)%pw, rho_elec_rspace%pw) 2175 CALL pw_axpy(rho_r(2)%pw, rho_elec_rspace%pw) 2197 CALL pw_copy(rho_r(1)%pw, rho_elec_rspace%pw) 2198 CALL pw_axpy(rho_r(2)%pw, rho_elec_rspace%pw, alpha=-1.0_dp) 2215 CALL cp_pw_to_cube(rho_elec_rspace%pw, unit_nr, "SPIN DENSITY", & [all …]
H A D	qs_scf_post_tb.F	1090 TYPE(pw_p_type) :: rho_elec_rspace local 1133 pw=rho_elec_rspace%pw, & 1136 CALL pw_copy(rho_r(1)%pw, rho_elec_rspace%pw) 1137 CALL pw_axpy(rho_r(2)%pw, rho_elec_rspace%pw) 1153 CALL cp_pw_to_cube(rho_elec_rspace%pw, unit_nr, "SUM OF ALPHA AND BETA DENSITY", & 1157 CALL pw_copy(rho_r(1)%pw, rho_elec_rspace%pw) 1158 CALL pw_axpy(rho_r(2)%pw, rho_elec_rspace%pw, alpha=-1.0_dp) 1174 CALL cp_pw_to_cube(rho_elec_rspace%pw, unit_nr, "SPIN DENSITY", & 1178 CALL pw_pool_give_back_pw(auxbas_pw_pool, rho_elec_rspace%pw)