Searched defs:atom_fit_kgpot (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_fit.F | 1886 SUBROUTINE atom_fit_kgpot(atom, num_gau, num_pol, iunit, powell_section, results) subroutine
1892 CHARACTER(len=*), PARAMETER :: routineN = 'atom_fit_kgpot', routineP = moduleN//':'//routineN argument
1893 REAL(KIND=dp), PARAMETER :: t23 = 2._dp/3._dp
1895 INTEGER :: i, ig, ip, iw, j, n10
1896 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: x local
1897 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: co
1898 TYPE(opgrid_type), POINTER :: density
1899 TYPE(opt_state_type) :: ostate
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_fit.F | 1886 SUBROUTINE atom_fit_kgpot(atom, num_gau, num_pol, iunit, powell_section, results) subroutine
1892 CHARACTER(len=*), PARAMETER :: routineN = 'atom_fit_kgpot', routineP = moduleN//':'//routineN argument
1893 REAL(KIND=dp), PARAMETER :: t23 = 2._dp/3._dp
1895 INTEGER :: i, ig, ip, iw, j, n10
1896 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: x local
1897 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: co
1898 TYPE(opgrid_type), POINTER :: density
1899 TYPE(opt_state_type) :: ostate
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