Searched defs:mcharge1 (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xtb_ehess.F | 75 SUBROUTINE xtb_coulomb_hessian(qs_env, ks_matrix, charges1, mcharge1, mcharge) argument
80 REAL(dp), DIMENSION(:) :: mcharge1, mcharge local
300 SUBROUTINE dftb3_diagonal_hessian(qs_env, ks_matrix, mcharge, mcharge1, xgamma) argument
304 REAL(dp), DIMENSION(:) :: mcharge, mcharge1, xgamma local
|
| H A D | qs_linres_methods.F | 1393 REAL(dp), ALLOCATABLE, DIMENSION(:) :: mcharge, mcharge1 local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xtb_ehess.F | 75 SUBROUTINE xtb_coulomb_hessian(qs_env, ks_matrix, charges1, mcharge1, mcharge) argument
80 REAL(dp), DIMENSION(:) :: mcharge1, mcharge local
300 SUBROUTINE dftb3_diagonal_hessian(qs_env, ks_matrix, mcharge, mcharge1, xgamma) argument
304 REAL(dp), DIMENSION(:) :: mcharge, mcharge1, xgamma local
|
| H A D | qs_linres_methods.F | 1353 REAL(dp), ALLOCATABLE, DIMENSION(:) :: mcharge, mcharge1 local
|