/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qmmm_gpw_energy.F | 376 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
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H A D | qmmm_se_energy.F | 276 qmmm_spherical_cutoff, particles_qm) argument 291 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
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H A D | qmmm_se_forces.F | 260 … se_int_control, anag, delta, qmmm_spherical_cutoff, particles_qm) argument 275 REAL(KIND=dp), INTENT(IN) :: delta, qmmm_spherical_cutoff(2) local
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H A D | qmmm_gpw_forces.F | 597 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
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H A D | qmmm_tb_methods.F | 1251 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
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qmmm_gpw_energy.F | 376 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
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H A D | qmmm_se_energy.F | 276 qmmm_spherical_cutoff, particles_qm) argument 291 REAL(KIND=dp), INTENT(IN) :: qmmm_spherical_cutoff(2) local
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H A D | qmmm_se_forces.F | 260 … se_int_control, anag, delta, qmmm_spherical_cutoff, particles_qm) argument 275 REAL(KIND=dp), INTENT(IN) :: delta, qmmm_spherical_cutoff(2) local
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H A D | qmmm_gpw_forces.F | 597 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
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H A D | qmmm_tb_methods.F | 1251 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
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