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/dports/science/cp2k-data/cp2k-7.1.0/src/eri_mme/
H A Deri_mme_integrate.F378 IF (lc_min == 0) THEN
412 CALL eri_mme_3c_collect_ortho(vol, la_min, la_max, lb_min, lb_max, lc_min, lc_max, &
521 IF (lc_min == 0) THEN
610 DO kco = ncoset(lc_min - 1) + 1, ncoset(lc_max)
649 CALL eri_mme_3c_collect_nonortho(vol, la_min, la_max, lb_min, lb_max, lc_min, lc_max, &
702 resc_c_init = (2.0_dp*zetc)**lc_min
705 lc_prev = lc_min
706 DO kco = ncoset(lc_min - 1) + 1, ncoset(lc_max)
793 resc_c_init = (2.0_dp*zetc)**lc_min
796 lc_prev = lc_min
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/eri_mme/
H A Deri_mme_integrate.F378 IF (lc_min == 0) THEN
412 CALL eri_mme_3c_collect_ortho(vol, la_min, la_max, lb_min, lb_max, lc_min, lc_max, &
521 IF (lc_min == 0) THEN
610 DO kco = ncoset(lc_min - 1) + 1, ncoset(lc_max)
649 CALL eri_mme_3c_collect_nonortho(vol, la_min, la_max, lb_min, lb_max, lc_min, lc_max, &
702 resc_c_init = (2.0_dp*zetc)**lc_min
705 lc_prev = lc_min
706 DO kco = ncoset(lc_min - 1) + 1, ncoset(lc_max)
793 resc_c_init = (2.0_dp*zetc)**lc_min
796 lc_prev = lc_min
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dai_coulomb_test.F52 lc_min, ll, n, npgfa, npgfb, npgfc, & local
126 lc_min = l
133 …CALL coulomb2(la_max, npgfa, zeta, rpgf, la_min, lc_max, npgfc, zetc, rpgf, lc_min, rc, rac2, vac,…
H A Dai_coulomb.F88 INTEGER, INTENT(IN) :: lc_min local
134 DO j = nc + ncoset(lc_min - 1) + 1, nc + ncoset(lc_max)
391 DO j = ncoset(lc_min - 1) + 1, ncoset(lc_max)
398 DO j = ncoset(lc_min - 1) + 1, ncoset(lc_max)
445 INTEGER, INTENT(IN) :: lc_min local
737 DO j = ncoset(lc_min - 1) + 1, ncoset(lc_max - maxder_local)
806 INTEGER, INTENT(IN) :: lc_min local
1925 DO k = ncoset(lc_min - 1) + 1, ncoset(lc_max)
1926 kk = k - ncoset(lc_min - 1)
1936 DO k = ncoset(lc_min - 1) + 1, ncoset(lc_max)
[all …]
H A Dai_operators_r12.F106 SUBROUTINE operator2(cps_operator2, la_max, npgfa, zeta, la_min, lc_max, npgfc, zetc, lc_min, & argument
113 INTEGER, INTENT(IN) :: lc_min local
398 DO j = ncoset(lc_min - 1) + 1, ncoset(lc_max - maxder_local)
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dai_coulomb_test.F52 lc_min, ll, n, npgfa, npgfb, npgfc, & local
126 lc_min = l
133 …CALL coulomb2(la_max, npgfa, zeta, rpgf, la_min, lc_max, npgfc, zetc, rpgf, lc_min, rc, rac2, vac,…
H A Dai_coulomb.F88 INTEGER, INTENT(IN) :: lc_min local
134 DO j = nc + ncoset(lc_min - 1) + 1, nc + ncoset(lc_max)
391 DO j = ncoset(lc_min - 1) + 1, ncoset(lc_max)
398 DO j = ncoset(lc_min - 1) + 1, ncoset(lc_max)
445 INTEGER, INTENT(IN) :: lc_min local
737 DO j = ncoset(lc_min - 1) + 1, ncoset(lc_max - maxder_local)
806 INTEGER, INTENT(IN) :: lc_min local
1925 DO k = ncoset(lc_min - 1) + 1, ncoset(lc_max)
1926 kk = k - ncoset(lc_min - 1)
1936 DO k = ncoset(lc_min - 1) + 1, ncoset(lc_max)
[all …]
H A Dai_operators_r12.F106 SUBROUTINE operator2(cps_operator2, la_max, npgfa, zeta, la_min, lc_max, npgfc, zetc, lc_min, & argument
113 INTEGER, INTENT(IN) :: lc_min local
398 DO j = ncoset(lc_min - 1) + 1, ncoset(lc_max - maxder_local)
/dports/science/libint/libint-release-1-2-1-15-gb349524/src/bin/libr12/
H A Demit_vrr_t1_build.c57 int la, lc, lc_min, lc_max; in emit_vrr_t1_build() local
78 lc_min = (la >= old_am + 1) ? 0 : old_am + 1; in emit_vrr_t1_build()
80 lc_min = 0; in emit_vrr_t1_build()
82 for(lc=lc_min;lc<=lc_max;lc++) { in emit_vrr_t1_build()
H A Demit_vrr_t2_build.c57 int la, lc, lc_min, lc_max; in emit_vrr_t2_build() local
78 lc_min = (la >= old_am + 1) ? 0 : old_am + 1; in emit_vrr_t2_build()
80 lc_min = 0; in emit_vrr_t2_build()
82 for(lc=lc_min;lc<=lc_max;lc++) { in emit_vrr_t2_build()
H A Demit_vrr_r_build.c57 int la, lc, lc_min, lc_max; in emit_vrr_r_build() local
88 lc_min = (la >= old_am + 1) ? 0 : old_am + 1; in emit_vrr_r_build()
90 for(lc=lc_min;lc<=lc_max;lc++) { in emit_vrr_r_build()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Ddebug_os_integrals.F202 lb_max, lb_min, lc_max, lc_min, ma, & local
221 lc_min = 0
245 lc_max_set=lc_max, npgfc=1, zetc=xc_work, rpgfc=rpgfc, lc_min_set=lc_min, &
254 DO mc = lc_min, lc_max
311 lc_max, npgfc, zetc, lc_min, & argument
320 INTEGER, INTENT(IN) :: lc_min local
353 DO mc = lc_min, lc_max
H A Dqs_o3c_methods.F58 lc_min, npgfa, npgfb, npgfc, nsgfa, & local
143 lc_min => basis_set_c%lmin
209 … lc_max(kset), npgfc(kset), zetc(:, kset), rpgfc(:, kset), lc_min(kset), &
214 … lc_max(kset), npgfc(kset), zetc(:, kset), rpgfc(:, kset), lc_min(kset), &
H A Dlibint_2c_3c.F102 lc_min, lc_max, npgfc, zetc, rpgfc, rc, & argument
113 INTEGER, INTENT(IN) :: lc_min, lc_max, npgfc local
186 DO lk = lc_min, lc_max
231 DO lk = lc_min, lc_max
H A Dsap_kind_types.F289 l, lc_max, lc_min, ldai, ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, & local
519 lc_min = l
526 … lc_max, lc_min, 1, rprjc, zetc, rac, dac, sab, 0, .FALSE., ai_work, ldai)
529 … lc_max, lc_min, 1, rprjc, zetc, rac, dac, sab, nder, .TRUE., ai_work, ldai)
H A Dmp2_eri.F654 lc_min, npgfa, npgfb, npgfc, nsgfa, & local
861 lc_min => basis_set_c%lmin
902 lc_min(kset), lc_max(kset), &
1063 la_min, la_max, lb_min, lb_max, lc_min, lc_max, & argument
1084 … INTEGER, INTENT(IN) :: la_min, la_max, lb_min, lb_max, lc_min, & local
1215 la_min, la_max_d, lb_min, lb_max_d, lc_min, lc_max_d, &
1223 DO lc = lc_min, lc_max
1341 lc_max, zetc(kpgf), rpgfc(kpgf), lc_min, &
H A Dcore_ppnl.F104 irow, iset, j, jatom, jkind, jneighbor, kac, katom, kbc, kkind, l, lc_max, lc_min, ldai, & local
355 lc_min = l
361 … lc_max, lc_min, 1, rprjc, zetc, rac, dac, sab, nder, .TRUE., ai_work, ldai)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Ddebug_os_integrals.F202 lb_max, lb_min, lc_max, lc_min, ma, & local
221 lc_min = 0
245 lc_max_set=lc_max, npgfc=1, zetc=xc_work, rpgfc=rpgfc, lc_min_set=lc_min, &
254 DO mc = lc_min, lc_max
311 lc_max, npgfc, zetc, lc_min, & argument
320 INTEGER, INTENT(IN) :: lc_min local
353 DO mc = lc_min, lc_max
H A Dqs_o3c_methods.F77 lc_min, npgfa, npgfb, npgfc, nsgfa, & local
162 lc_min => basis_set_c%lmin
228 … lc_max(kset), npgfc(kset), zetc(:, kset), rpgfc(:, kset), lc_min(kset), &
233 … lc_max(kset), npgfc(kset), zetc(:, kset), rpgfc(:, kset), lc_min(kset), &
350 lc_min, npgfa, npgfb, npgfc, nsgfa, & local
373 NULLIFY (lb_min, lc_max, lc_min, npgfa, npgfb, npgfc, nsgfa, nsgfb, nsgfc)
539 lc_min => basis_set_c%lmin
594 … rj, lc_min(kset), lc_max(kset), npgfc(kset), zetc(:, kset), rpgf_c(:, kset), &
H A Dlibint_2c_3c.F101 lc_min, lc_max, npgfc, zetc, rpgfc, rc, & argument
111 INTEGER, INTENT(IN) :: lc_min, lc_max, npgfc local
179 DO lk = lc_min, lc_max
210 DO lk = lc_min, lc_max
H A Dcommutator_rpnl.F76 jkind, jneighbor, kac, katom, kbc, kkind, l, lc_max, lc_min, ldai, ldsab, lppnl, maxco, & local
256 lc_min = l
261 … lc_max, lc_min, 1, rprjc, zetc, rac, dac, sab(:, :, 1), 0, .FALSE., ai_work, ldai)
H A Dmp2_eri.F655 lc_min, npgfa, npgfb, npgfc, nsgfa, & local
862 lc_min => basis_set_c%lmin
903 lc_min(kset), lc_max(kset), &
1064 la_min, la_max, lb_min, lb_max, lc_min, lc_max, & argument
1085 … INTEGER, INTENT(IN) :: la_min, la_max, lb_min, lb_max, lc_min, & local
1216 la_min, la_max_d, lb_min, lb_max_d, lc_min, lc_max_d, &
1224 DO lc = lc_min, lc_max
1342 lc_max, zetc(kpgf), rpgfc(kpgf), lc_min, &
H A Dcore_ppnl.F107 lc_max, lc_min, ldai, ldsab, lppnl, maxco, maxder, maxl, maxlgto, maxlppnl, maxppnl, & local
335 lc_min = l
341 … lc_max, lc_min, 1, rprjc, zetc, rac, dac, sab, nder, .TRUE., ai_work, ldai)
/dports/science/libint/libint-release-1-2-1-15-gb349524/src/bin/libint/
H A Demit_vrr_build_macro.c59 int la, lc, lc_min, lc_max; in emit_vrr_build_macro() local
94 lc_min = (la >= old_am + 1) ? 0 : old_am + 1; in emit_vrr_build_macro()
96 for(lc=lc_min;lc<=lc_max;lc++) { in emit_vrr_build_macro()
H A Demit_vrr_build.c59 int la, lc, lc_min, lc_max; in emit_vrr_build() local
91 lc_min = (la >= old_am + 1) ? 0 : old_am + 1; in emit_vrr_build()
93 for(lc=lc_min;lc<=lc_max;lc++) { in emit_vrr_build()

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