Searched defs:efield_tb_berry (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | efield_tb_methods.F | 277 CHARACTER(LEN=*), PARAMETER :: routineN = 'efield_tb_berry', & argument
282 … INTEGER :: atom_a, atom_b, blk, handle, ia, iatom, &
283 ic, icol, idir, ikind, irow, is, &
284 ispin, jatom, jkind, natom, nimg, nspin
285 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of
288 LOGICAL :: found, use_virial
289 REAL(KIND=dp) :: charge, dd, fdir
290 REAL(KIND=dp), DIMENSION(3) :: fieldpol, fij, forcea, fpolvec, kvec, &
291 qi, rab, ria, rib
293 REAL(KIND=dp), DIMENSION(:, :), POINTER :: ds_block, ks_block, p_block, s_block
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | efield_tb_methods.F | 277 CHARACTER(LEN=*), PARAMETER :: routineN = 'efield_tb_berry', & argument
282 … INTEGER :: atom_a, atom_b, blk, handle, ia, iatom, &
283 ic, icol, idir, ikind, irow, is, &
284 ispin, jatom, jkind, natom, nimg, nspin
285 INTEGER, ALLOCATABLE, DIMENSION(:) :: atom_of_kind, kind_of
288 LOGICAL :: found, use_virial
289 REAL(KIND=dp) :: charge, dd, fdir
290 REAL(KIND=dp), DIMENSION(3) :: fieldpol, fij, forcea, fpolvec, kvec, &
291 qi, rab, ria, rib
293 REAL(KIND=dp), DIMENSION(:, :), POINTER :: ds_block, ks_block, p_block, s_block
[all …]
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