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Searched defs:qmmm_spherical_cutoff (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_gpw_energy.F376 qmmm_spherical_cutoff, shells) argument
392 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
536 … mm_cell, dOmmOqm, par_scheme, qmmm_spherical_cutoff, shells) argument
547 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
749 … mm_cell, dOmmOqm, par_scheme, qmmm_spherical_cutoff, shells) argument
760 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
H A Dqmmm_se_energy.F276 qmmm_spherical_cutoff, particles_qm) argument
291 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
H A Dqmmm_se_forces.F260 … se_int_control, anag, delta, qmmm_spherical_cutoff, particles_qm) argument
275 REAL(KIND=dp), INTENT(IN) :: delta, qmmm_spherical_cutoff(2) local
H A Dqmmm_gpw_forces.F597 qmmm_spherical_cutoff, shells) argument
616 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
785 … aug_pools, mm_cell, dOmmOqm, iw, par_scheme, qmmm_spherical_cutoff, shells) argument
800 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
1198 … aug_pools, mm_cell, dOmmOqm, iw, par_scheme, qmmm_spherical_cutoff, shells) argument
1213 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
1632 … debug_force, para_env, mm_cell, dOmmOqm, iw, par_scheme, qmmm_spherical_cutoff, shells) argument
1647 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
1748 … debug_force, para_env, mm_cell, dOmmOqm, iw, par_scheme, qmmm_spherical_cutoff, shells) argument
1763 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
H A Dqmmm_tb_methods.F1251 qmmm_spherical_cutoff, particles_qm) argument
1262 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
1333 forces, forces_qm, qmmm_spherical_cutoff, particles_qm) argument
1346 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqmmm_gpw_energy.F376 qmmm_spherical_cutoff, shells) argument
392 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
536 … mm_cell, dOmmOqm, par_scheme, qmmm_spherical_cutoff, shells) argument
547 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
749 … mm_cell, dOmmOqm, par_scheme, qmmm_spherical_cutoff, shells) argument
760 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
H A Dqmmm_se_energy.F276 qmmm_spherical_cutoff, particles_qm) argument
291 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
H A Dqmmm_se_forces.F260 … se_int_control, anag, delta, qmmm_spherical_cutoff, particles_qm) argument
275 REAL(KIND=dp), INTENT(IN) :: delta, qmmm_spherical_cutoff(2) local
H A Dqmmm_gpw_forces.F597 qmmm_spherical_cutoff, shells) argument
616 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
785 aug_pools, mm_cell, dOmmOqm, iw, par_scheme, qmmm_spherical_cutoff, shells) argument
800 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
1199 aug_pools, mm_cell, dOmmOqm, iw, par_scheme, qmmm_spherical_cutoff, shells) argument
1214 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
1633 debug_force, para_env, mm_cell,dOmmOqm,iw,par_scheme,qmmm_spherical_cutoff, shells) argument
1648 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
1749 debug_force, para_env, mm_cell,dOmmOqm,iw, par_scheme, qmmm_spherical_cutoff, shells) argument
1764 REAL(KIND=dp), DIMENSION(2), INTENT(IN) :: qmmm_spherical_cutoff local
H A Dqmmm_tb_methods.F1251 qmmm_spherical_cutoff, particles_qm) argument
1262 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
1333 forces, forces_qm, qmmm_spherical_cutoff, particles_qm) argument
1346 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local