Searched defs:almo_scf_diis_extrapolate (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | almo_scf_diis_types.F | 340 SUBROUTINE almo_scf_diis_extrapolate(diis_env, extr_var, d_extr_var) subroutine
346 CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_diis_extrapolate', & argument
347 routineP = moduleN//':'//routineN
349 INTEGER :: handle, idomain, im, INFO, LWORK, &
350 ndomains, unit_nr
351 REAL(KIND=dp) :: checksum
352 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: coeff, eigenvalues, tmp1, WORK
353 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: m_b_copy
354 TYPE(cp_logger_type), POINTER :: logger
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | almo_scf_diis_types.F | 340 SUBROUTINE almo_scf_diis_extrapolate(diis_env, extr_var, d_extr_var) subroutine
346 CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_diis_extrapolate', & argument
347 routineP = moduleN//':'//routineN
349 INTEGER :: handle, idomain, im, INFO, LWORK, &
350 ndomains, unit_nr
351 REAL(KIND=dp) :: checksum
352 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: coeff, eigenvalues, tmp1, WORK
353 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: m_b_copy
354 TYPE(cp_logger_type), POINTER :: logger
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