Searched defs:calculate_p_gamma (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mao_methods.F | 430 SUBROUTINE calculate_p_gamma(pmat, ksmat, smat, kpoints, nmos, occ) subroutine
437 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_p_gamma', & argument
438 routineP = moduleN//':'//routineN
440 INTEGER :: norb
441 REAL(KIND=dp) :: de
442 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eigenvalues
443 TYPE(cp_fm_struct_type), POINTER :: matrix_struct
444 TYPE(cp_fm_type), POINTER :: fmksmat, fmsmat, fmvec, fmwork
445 TYPE(dbcsr_type) :: tempmat
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mao_methods.F | 430 SUBROUTINE calculate_p_gamma(pmat, ksmat, smat, kpoints, nmos, occ) subroutine
437 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_p_gamma', & argument
438 routineP = moduleN//':'//routineN
440 INTEGER :: norb
441 REAL(KIND=dp) :: de
442 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eigenvalues
443 TYPE(cp_fm_struct_type), POINTER :: matrix_struct
444 TYPE(cp_fm_type), POINTER :: fmksmat, fmsmat, fmvec, fmwork
445 TYPE(dbcsr_type) :: tempmat
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