Searched defs:calculate_drho_elec (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_collocate_density.F | 1935 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_drho_elec', & argument
1939 INTEGER :: bcol, brow, dabqadb_func, handle, i, iatom, iatom_old, idir, igrid_level, ikind, &
1940 ikind_old, img, img_old, ipgf, iset, iset_old, itask, ithread, jatom, jatom_old, jkind, &
1941 jkind_old, jpgf, jset, jset_old, maxco, maxsgf_set, na1, na2, natoms, nb1, nb2, ncoa, &
1942 ncob, nimages, nseta, nsetb, ntasks, nthread, sgfa, sgfb
1944 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, npgfa, &
1945 npgfb, nsgfa, nsgfb
1948 do_kp, found, my_soft, use_subpatch
1949 REAL(KIND=dp) :: eps_rho_rspace, f, prefactor, radius, &
1951 REAL(KIND=dp), DIMENSION(3) :: ra, rab, rab_inv, rb, rp
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_collocate_density.F | 1989 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_drho_elec', & argument
1993 INTEGER :: bcol, brow, handle, i, iatom, iatom_old, idir, igrid_level, ikind, ikind_old, &
1994 img, img_old, ipgf, iset, iset_old, itask, ithread, jatom, jatom_old, jkind, jkind_old, &
1995 jpgf, jset, jset_old, lmax_global, maxco, maxpgf, maxset, maxsgf, maxsgf_set, na1, na2, &
1996 natoms, nb1, nb2, ncoa, ncob, nimages, nseta, nsetb, ntasks, nthread, sgfa, sgfb
1999 … INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, mylmax, &
2000 npgfa, npgfb, nsgfa, nsgfb
2003 do_kp, found, map_consistent, my_soft, &
2005 REAL(KIND=dp) :: eps_rho_rspace, rab2, scale, zetp
2006 REAL(KIND=dp), DIMENSION(3) :: ra, rab, rab_inv, rb
[all …]
|