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Searched defs:ipgf (Results 1 – 25 of 118) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dlri_environment_init.F132 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
H A Dtask_list_types.F37 INTEGER :: ipgf = 0 component
H A Doptimize_basis_utils.F773 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
H A Dbasis_set_output.F154 INTEGER :: ipgf, iset, ishell, ll, nset local
H A Dtask_list_methods.F131 … 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
H A Dlri_optimize_ri_basis_types.F151 INTEGER :: il, ipgf, iset, ishell, l, maxpgf, & local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dlri_environment_init.F132 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
H A Doptimize_basis_utils.F773 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
H A Dtask_list_methods.F130 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 …]
H A Dbasis_set_output.F149 INTEGER :: ipgf, iset, ishell, ll, nset local
H A Dlri_optimize_ri_basis_types.F151 INTEGER :: il, ipgf, iset, ishell, l, maxpgf, & local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dgeneric_shg_integrals_init.F54 … 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
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dgeneric_shg_integrals_init.F54 … 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
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dai_derivatives.F91 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
H A Dbasis_set_types.F336 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 …]
H A Dsoft_basis_set.F67 INTEGER :: ico, ipgf, ipgf_s, iset, iset_s, ishell, lshell, lshell_old, m, maxco, maxpgf, & local
H A Dai_fermi_contact.F83 ipgf, j, jpgf, la, lb, ma, mb, na, nb local
H A Dai_angmom.F58 INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & local
H A Dai_overlap_ppl.F118 INTEGER :: iexp, ij, ipgf, jpgf, mmax, nexp local
217 INTEGER :: i, iexp, ipgf, iw, mmax, na, nexp local
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dai_derivatives.F91 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
H A Dbasis_set_types.F331 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 …]
H A Dsoft_basis_set.F67 INTEGER :: ico, ipgf, ipgf_s, iset, iset_s, ishell, lshell, lshell_old, m, maxco, maxpgf, & local
H A Dai_angmom.F58 INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & local
H A Dai_fermi_contact.F83 ipgf, j, jpgf, la, lb, ma, mb, na, nb local
H A Dai_overlap_ppl.F118 INTEGER :: iexp, ij, ipgf, jpgf, mmax, nexp local
217 INTEGER :: i, iexp, ipgf, iw, mmax, na, nexp local

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