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Searched defs:eps_mm_rspace (Results 1 – 16 of 16) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_gaussian_init.F69 … qmmm_coupl_type, eps_mm_rspace, maxradius, maxchrg, compatibility, & argument
76 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
H A Dmm_collocate_potential.F54 eps_mm_rspace, xdat, ydat, zdat, bo2, n_rep_real, mm_cell) argument
60 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
177 … eps_mm_rspace, xdat, ydat, zdat, bo, force, n_rep_real, mm_cell) argument
183 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
H A Dqmmm_per_elpot.F82 eps_mm_rspace, maxchrg, ncp, ncpl) argument
91 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace, maxchrg local
H A Dqmmm_gpw_energy.F245 aug_pools, cube_info, para_env, eps_mm_rspace, pw_pools, & argument
253 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
374 eps_mm_rspace, pgfs, auxbas_grid, coarser_grid, & argument
383 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
H A Dqmmm_create.F122 REAL(KIND=dp) :: eps_mm_rspace local
H A Dqmmm_gpw_forces.F400 … eps_mm_rspace, pw_pools, Forces, Forces_added_charges, Forces_added_shells, & argument
409 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
595 … eps_mm_rspace, auxbas_grid, coarser_grid, pgfs, potentials, Forces, & argument
605 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
1512 eps_mm_rspace, aug_pools, debug_force, & argument
1520 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
H A Dqmmm_types_low.F213 REAL(KIND=dp) :: eps_mm_rspace component
H A Dqmmm_init.F647 … qm_atom_index, mm_atom_index, qm_cell_small, qmmm_coupl_type, eps_mm_rspace, & argument
657 REAL(KIND=dp), INTENT(OUT) :: eps_mm_rspace local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqmmm_gaussian_init.F69 … qmmm_coupl_type, eps_mm_rspace, maxradius, maxchrg, compatibility, & argument
76 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
H A Dmm_collocate_potential.F54 eps_mm_rspace, xdat, ydat, zdat, bo2, n_rep_real, mm_cell) argument
60 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
177 … eps_mm_rspace, xdat, ydat, zdat, bo, force, n_rep_real, mm_cell) argument
183 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
H A Dqmmm_per_elpot.F82 eps_mm_rspace, maxchrg, ncp, ncpl) argument
91 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace, maxchrg local
H A Dqmmm_gpw_energy.F245 aug_pools, cube_info, para_env, eps_mm_rspace, pw_pools, & argument
253 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
374 eps_mm_rspace, pgfs, auxbas_grid, coarser_grid, & argument
383 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
H A Dqmmm_create.F122 REAL(KIND=dp) :: eps_mm_rspace local
H A Dqmmm_gpw_forces.F400 eps_mm_rspace, pw_pools, Forces, Forces_added_charges, Forces_added_shells,& argument
409 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
595 eps_mm_rspace, auxbas_grid, coarser_grid, pgfs, potentials, Forces, & argument
605 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
1513 eps_mm_rspace, aug_pools, debug_force,& argument
1521 REAL(KIND=dp), INTENT(IN) :: eps_mm_rspace local
H A Dqmmm_types_low.F213 REAL(KIND=dp) :: eps_mm_rspace component
H A Dqmmm_init.F647 … qm_atom_index, mm_atom_index, qm_cell_small, qmmm_coupl_type, eps_mm_rspace, & argument
657 REAL(KIND=dp), INTENT(OUT) :: eps_mm_rspace local