Searched defs:debug_qmmm_forces_with_gauss_LR (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_gpw_forces.F | 1746 SUBROUTINE debug_qmmm_forces_with_gauss_LR(pgfs, aug_pools, rho, mm_charges, mm_atom_index, & subroutine
1766 CHARACTER(len=*), PARAMETER :: routineN = 'debug_qmmm_forces_with_gauss_LR', & argument
1767 routineP = moduleN//':'//routineN
1769 INTEGER :: handle, I, igrid, IndMM, J, K, ngrids
1770 REAL(KIND=dp) :: Coord_save
1771 REAL(KIND=dp), DIMENSION(2) :: energy
1772 REAL(KIND=dp), DIMENSION(3) :: Err
1773 REAL(KIND=dp), DIMENSION(:, :), POINTER :: Num_Forces
1774 TYPE(pw_p_type), DIMENSION(:), POINTER :: grids
1837 END SUBROUTINE debug_qmmm_forces_with_gauss_LR argument
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_gpw_forces.F | 1747 SUBROUTINE debug_qmmm_forces_with_gauss_LR(pgfs,aug_pools, rho, mm_charges, mm_atom_index,& subroutine
1767 CHARACTER(len=*), PARAMETER :: routineN = 'debug_qmmm_forces_with_gauss_LR', & argument
1768 routineP = moduleN//':'//routineN
1770 INTEGER :: handle, I, igrid, IndMM, J, K, ngrids
1771 REAL(KIND=dp) :: Coord_save
1772 REAL(KIND=dp), DIMENSION(2) :: energy
1773 REAL(KIND=dp), DIMENSION(3) :: Err
1774 REAL(KIND=dp), DIMENSION(:, :), POINTER :: Num_Forces
1775 TYPE(pw_p_type), DIMENSION(:), POINTER :: grids
1838 END SUBROUTINE debug_qmmm_forces_with_gauss_LR argument
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