Searched defs:calculate_w_matrix (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | dm_ls_scf.F | 1165 SUBROUTINE calculate_w_matrix(matrix_w, ls_scf_env) subroutine
1169 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_w_matrix', & argument
1170 routineP = moduleN//':'//routineN
1172 INTEGER :: handle, ispin
1173 REAL(KIND=dp) :: scaling
1174 TYPE(dbcsr_type) :: matrix_tmp1, matrix_tmp2, matrix_tmp3
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| H A D | qs_ks_methods.F | 154 INTERFACE calculate_w_matrix interface
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | dm_ls_scf.F | 1167 SUBROUTINE calculate_w_matrix(matrix_w, ls_scf_env) subroutine
1171 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_w_matrix', & argument
1172 routineP = moduleN//':'//routineN
1174 INTEGER :: handle, ispin
1175 REAL(KIND=dp) :: scaling
1176 TYPE(dbcsr_type) :: matrix_tmp1, matrix_tmp2, matrix_tmp3
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| H A D | qs_ks_methods.F | 157 INTERFACE calculate_w_matrix interface
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