/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_environment_init.F | 132 INTEGER :: i, i1, i2, iat, ikind, ip, ipgf, iset, ishell, jp, l, lmax_ikind_orb, & local 425 INTEGER :: ipgf, iset, isgf, ishell, jpgf, l, nbas local 471 INTEGER :: ipgf, iset, isgf, ishell, jpgf, l, nbas local 516 INTEGER :: ipgf, iset, isgf, ishell, l, nbas local 557 INTEGER :: ipgf, iset, isgf, ishell, jpgf, jset, & local
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H A D | task_list_types.F | 37 INTEGER :: ipgf = 0 component
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H A D | optimize_basis_utils.F | 773 INTEGER :: ipgf, irep, iset, nrep local 838 SUBROUTINE set_constraint(flex_basis, iset, ipgf, const_section, is_bound, is_varlim, irep) argument 840 INTEGER :: iset, ipgf local 895 INTEGER :: icont, ipgf, iset local 939 INTEGER :: icont, idof, ipgf, irep, iset, nrep local 1145 INTEGER :: icon1, icon2, il, ipgf, ishell, istart local
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H A D | basis_set_output.F | 154 INTEGER :: ipgf, iset, ishell, ll, nset local
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H A D | task_list_methods.F | 131 … ikind, ilevel, img, img_old, ipair, ipgf, iset, itask, jatom, jatom_old, jkind, jpgf, & local 532 … INTEGER :: cube_center(3), igrid_level, ipgf, iset, & local 739 rab, cindex, iatom, jatom, iset, jset, ipgf, jpgf, & argument 745 … INTEGER, INTENT(IN) :: cindex, iatom, jatom, iset, jset, ipgf, & local 1099 INTEGER :: cost, dest, handle, i, iatom, ilevel, img, img_old, iopt, ipgf, iset, itask, & local 1414 INTEGER :: handle, i, iatom, ilevel, img, ipgf, & local 1485 INTEGER :: handle, i, iatom, ilevel, img, ipgf, & local 1978 … INTEGER :: acol, arow, i, iatom, ilevel, img, ipgf, & local
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H A D | lri_optimize_ri_basis_types.F | 151 INTEGER :: il, ipgf, iset, ishell, l, maxpgf, & local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_environment_init.F | 132 INTEGER :: i, i1, i2, iat, ikind, ip, ipgf, iset, ishell, jp, l, lmax_ikind_orb, & local 425 INTEGER :: ipgf, iset, isgf, ishell, jpgf, l, nbas local 471 INTEGER :: ipgf, iset, isgf, ishell, jpgf, l, nbas local 516 INTEGER :: ipgf, iset, isgf, ishell, l, nbas local 557 INTEGER :: ipgf, iset, isgf, ishell, jpgf, jset, & local
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H A D | optimize_basis_utils.F | 773 INTEGER :: ipgf, irep, iset, nrep local 838 SUBROUTINE set_constraint(flex_basis, iset, ipgf, const_section, is_bound, is_varlim, irep) argument 840 INTEGER :: iset, ipgf local 895 INTEGER :: icont, ipgf, iset local 939 INTEGER :: icont, idof, ipgf, irep, iset, nrep local 1145 INTEGER :: icon1, icon2, il, ipgf, ishell, istart local
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H A D | task_list_methods.F | 130 ikind, ilevel, img, img_old, inode, ipair, ipgf, iset, itask, jatom, jatom_old, jkind, & local 505 … INTEGER :: cube_center(3), igrid_level, ipgf, iset, & local 724 … INTEGER, INTENT(IN) :: cindex, iatom, jatom, iset, jset, ipgf, & local 811 SUBROUTINE pair2int(res, ilevel, image, iatom, jatom, iset, jset, ipgf, jpgf, & argument 815 ipgf, jpgf, nimages, natom, maxset, & local 858 SUBROUTINE int2pair(res, ilevel, image, iatom, jatom, iset, jset, ipgf, jpgf, & argument 862 ipgf, jpgf local 1202 INTEGER :: cost, dest, handle, i, iatom, ilevel, img, img_old, iopt, ipgf, iset, itask, & local 1496 INTEGER :: handle, i, iatom, ilevel, img, ipgf, & local 1565 INTEGER :: handle, i, iatom, ilevel, img, ipgf, & local [all …]
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H A D | basis_set_output.F | 149 INTEGER :: ipgf, iset, ishell, ll, nset local
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H A D | lri_optimize_ri_basis_types.F | 151 INTEGER :: il, ipgf, iset, ishell, l, maxpgf, & local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
H A D | generic_shg_integrals_init.F | 54 … INTEGER :: ipgf, iset, ishell, l, maxpgf, maxshell, & local 101 INTEGER :: ipgf, iset, ishell, jpgf, l local 146 INTEGER :: forb, fri, iil, il, ipgf, iset, ishell, jpgf, jset, jshell, l, l1, l2, lmax_orb, & local 268 INTEGER :: ipgf, iset, ishell, j, l, maxpgf, & local
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/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
H A D | generic_shg_integrals_init.F | 54 … INTEGER :: ipgf, iset, ishell, l, maxpgf, maxshell, & local 101 INTEGER :: ipgf, iset, ishell, jpgf, l local 146 INTEGER :: forb, fri, iil, il, ipgf, iset, ishell, jpgf, jset, jshell, l, l1, l2, lmax_orb, & local 268 INTEGER :: ipgf, iset, ishell, j, l, maxpgf, & local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
H A D | ai_derivatives.F | 91 cob, codb, i, ipgf, j, jpgf, la, lb, & local 240 coda, i, ipgf, j, jpgf, la, lb, na, & local 372 cob, codb, ipgf, jpgf, la, lb, na, nb, & local
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H A D | basis_set_types.F | 336 INTEGER :: i, ico, ip, ipgf, iset, ishell, l, lm, & local 861 ipgf, iset, ishell, l, last_sgf, lmax, & local 956 INTEGER :: icgf, ico, ipgf, iset, ishell, jco, & local 1057 INTEGER :: icgf, ipgf, iset, ishell, jpgf, l, lx, & local 1112 INTEGER :: icgf, ipgf, iset, ishell, l local 1195 INTEGER :: ipgf, iset, ishell, l local 1247 INTEGER :: i, ibasis, ico, ipgf, irep, iset, ishell, lshell, m, maxco, maxl, maxpgf, & local 1586 INTEGER :: i, ico, ipgf, iset, ishell, lshell, m, & local 1962 INTEGER :: ipgf, iset, ishell local 2028 INTEGER :: icgf, ico, ipgf, iset, ishell local [all …]
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H A D | soft_basis_set.F | 67 INTEGER :: ico, ipgf, ipgf_s, iset, iset_s, ishell, lshell, lshell_old, m, maxco, maxpgf, & local
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H A D | ai_fermi_contact.F | 83 ipgf, j, jpgf, la, lb, ma, mb, na, nb local
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H A D | ai_angmom.F | 58 INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & local
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H A D | ai_overlap_ppl.F | 118 INTEGER :: iexp, ij, ipgf, jpgf, mmax, nexp local 217 INTEGER :: i, iexp, ipgf, iw, mmax, na, nexp local
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/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
H A D | ai_derivatives.F | 91 cob, codb, i, ipgf, j, jpgf, la, lb, & local 240 coda, i, ipgf, j, jpgf, la, lb, na, & local 372 cob, codb, ipgf, jpgf, la, lb, na, nb, & local
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H A D | basis_set_types.F | 331 INTEGER :: i, ico, ip, ipgf, iset, ishell, l, lm, & local 856 ipgf, iset, ishell, l, last_sgf, lmax, & local 951 INTEGER :: icgf, ico, ipgf, iset, ishell, jco, & local 1052 INTEGER :: icgf, ipgf, iset, ishell, jpgf, l, lx, & local 1107 INTEGER :: icgf, ipgf, iset, ishell, l local 1190 INTEGER :: ipgf, iset, ishell, l local 1242 INTEGER :: i, ibasis, ico, ipgf, irep, iset, & local 1578 INTEGER :: i, ico, ipgf, iset, ishell, lshell, m, & local 1949 INTEGER :: ipgf, iset, ishell local 2015 INTEGER :: icgf, ico, ipgf, iset, ishell local [all …]
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H A D | soft_basis_set.F | 67 INTEGER :: ico, ipgf, ipgf_s, iset, iset_s, ishell, lshell, lshell_old, m, maxco, maxpgf, & local
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H A D | ai_angmom.F | 58 INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & local
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H A D | ai_fermi_contact.F | 83 ipgf, j, jpgf, la, lb, ma, mb, na, nb local
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H A D | ai_overlap_ppl.F | 118 INTEGER :: iexp, ij, ipgf, jpgf, mmax, nexp local 217 INTEGER :: i, iexp, ipgf, iw, mmax, na, nexp local
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