Searched defs:ec_efield_mo_derivatives (Results 1 – 1 of 1) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ec_efield_local.F | 154 CHARACTER(LEN=*), PARAMETER :: routineN = 'ec_efield_mo_derivatives', & argument
157 INTEGER :: atom_a, atom_b, handle, i, ia, iatom, icol, idir, ikind, irow, iset, ispin, &
158 jatom, jkind, jset, ldab, natom, ncoa, ncob, nkind, nseta, nsetb, sgfa, sgfb
160 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, npgfa, &
161 npgfb, nsgfa, nsgfb
163 LOGICAL :: found, trans
164 REAL(dp) :: charge, dab, fdir
165 REAL(dp), DIMENSION(3) :: ci, fieldpol, ra, rab, rac, rbc, ria
166 REAL(dp), DIMENSION(3, 3) :: forcea, forceb
167 REAL(dp), DIMENSION(:, :), POINTER :: p_block_a, p_block_b, pblock, pmat, work
[all …]
|