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Searched refs:lmin12 (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_vxc_atom.F1080 lmin12 = lmin(iset1) + lmin(iset2)
1084 IF (lmin12 .LE. lmax_expansion) THEN
1087 IF (lmin12 == 0) THEN
1090 gg(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(1:nr)*g2(1:nr)
1096 DO l = lmin12 + 1, lmax12
1267 lmin12 = lmin(iset1) + lmin(iset2)
1276 IF (lmin12 == 0) THEN
1279 gg(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(1:nr)*g2(1:nr)
1285 DO l = lmin12 + 1, lmax12
1300 DO l = lmin12, lmax12
[all …]
H A Dqs_rho_atom_methods.F118 lmax_expansion, lmin12, m1, m1s, m2, m2s, max_iso_not0, max_iso_not0_local, max_s_harm, & local
228 lmin12 = lmin(iset1) + lmin(iset2)
243 IF (lmin12 .LE. lmax_expansion) THEN
244 IF (lmin12 == 0) THEN
245 gg(1:nr, lmin12) = g1(1:nr)*g2(1:nr)
246 gg_lm1(1:nr, lmin12) = 0.0_dp
247 gg0(1:nr) = gg(1:nr, lmin12)
250 gg(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(1:nr)*g2(1:nr)
251 gg_lm1(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12 - 1)*g1(1:nr)*g2(1:nr)
257 DO l = lmin12 + 1, lmax12
H A Dqs_linres_atom_current.F645 iso2_last, ispin, l, l_iso, llmax, lmax12, lmax_expansion, lmin12, m1s, m2s, m_iso, & local
820 lmin12 = lmin(iset1) + lmin(iset2)
828 IF (lmin12 .LE. lmax_expansion) THEN
832 IF (lmin12 == 0) THEN
833 gg(1:nr, lmin12) = g1(1:nr)*g2(1:nr)
834 gg_lm1(1:nr, lmin12) = 0.0_dp
836 gg(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(1:nr)*g2(1:nr)
837 … gg_lm1(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12 - 1)*g1(1:nr)*g2(1:nr)
840 DO l = lmin12 + 1, lmax12
845 DO l = lmin12, lmax12
H A Dxas_tdp_atom.F3061 lmin12, m1, m2, max_iso_not0, max_iso_not0_local, max_s_harm, maxl, maxso, n1, n2, na, & local
3124 lmin12 = lmin(iset1) + lmin(iset2)
3129 IF (lmin12 == 0) THEN
3130 gg(:, lmin12) = g1(:)*g2(:)
3132 gg(:, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(:)*g2(:)
3135 DO l = lmin12 + 1, lmax12
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_vxc_atom.F1063 lmin12 = lmin(iset1) + lmin(iset2)
1067 IF (lmin12 .LE. lmax_expansion) THEN
1070 IF (lmin12 == 0) THEN
1073 gg(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(1:nr)*g2(1:nr)
1079 DO l = lmin12 + 1, lmax12
1250 lmin12 = lmin(iset1) + lmin(iset2)
1259 IF (lmin12 == 0) THEN
1262 gg(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(1:nr)*g2(1:nr)
1268 DO l = lmin12 + 1, lmax12
1283 DO l = lmin12, lmax12
[all …]
H A Dqs_rho_atom_methods.F121 lmax_expansion, lmin12, m1, m1s, m2, m2s, max_iso_not0, max_iso_not0_local, max_s_harm, & local
230 lmin12 = lmin(iset1) + lmin(iset2)
245 IF (lmin12 .LE. lmax_expansion) THEN
246 IF (lmin12 == 0) THEN
247 gg(1:nr, lmin12) = g1(1:nr)*g2(1:nr)
248 gg_lm1(1:nr, lmin12) = 0.0_dp
249 gg0(1:nr) = gg(1:nr, lmin12)
252 gg(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(1:nr)*g2(1:nr)
253 gg_lm1(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12 - 1)*g1(1:nr)*g2(1:nr)
259 DO l = lmin12 + 1, lmax12
H A Dqs_linres_atom_current.F645 iso2_last, ispin, l, l_iso, llmax, lmax12, lmax_expansion, lmin12, m1s, m2s, m_iso, & local
820 lmin12 = lmin(iset1) + lmin(iset2)
828 IF (lmin12 .LE. lmax_expansion) THEN
832 IF (lmin12 == 0) THEN
833 gg(1:nr, lmin12) = g1(1:nr)*g2(1:nr)
834 gg_lm1(1:nr, lmin12) = 0.0_dp
836 gg(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12)*g1(1:nr)*g2(1:nr)
837 … gg_lm1(1:nr, lmin12) = grid_atom%rad2l(1:nr, lmin12 - 1)*g1(1:nr)*g2(1:nr)
840 DO l = lmin12 + 1, lmax12
845 DO l = lmin12, lmax12
H A Dxas_tdp_atom.F3000 lmax12, lmin12, m1, m2, max_iso_not0, max_iso_not0_local, max_s_harm, maxl, maxso, n1, & local
3064 lmin12 = lmin(iset1) + lmin(iset2)
3069 IF (lmin12 == 0) THEN
3070 gg(:, lmin12) = g1(:)*g2(:)
3072 gg(:, lmin12) = grid_atom%rad2l(sr:er, lmin12)*g1(:)*g2(:)
3075 DO l = lmin12 + 1, lmax12