ommp_qm_helper_vdw_energy_by_atom Subroutine

  1. mod_interface.F90
  2. ommp_interface
  3. ommp_qm_helper_vdw_energy_by_atom

public subroutine ommp_qm_helper_vdw_energy_by_atom(qm, s, evdw_ba)

Uses

  • proc~~ommp_qm_helper_vdw_energy_by_atom~~UsesGraph proc~ommp_qm_helper_vdw_energy_by_atom ommp_qm_helper_vdw_energy_by_atom module~mod_nonbonded mod_nonbonded proc~ommp_qm_helper_vdw_energy_by_atom->module~mod_nonbonded module~mod_memory mod_memory proc~ommp_qm_helper_vdw_energy_by_atom->module~mod_memory module~mod_nonbonded->module~mod_memory module~mod_topology mod_topology module~mod_nonbonded->module~mod_topology module~mod_adjacency_mat mod_adjacency_mat module~mod_nonbonded->module~mod_adjacency_mat module~mod_neighbor_list mod_neighbor_list module~mod_nonbonded->module~mod_neighbor_list module~mod_constants mod_constants module~mod_nonbonded->module~mod_constants module~mod_memory->module~mod_constants iso_c_binding iso_c_binding module~mod_memory->iso_c_binding module~mod_io mod_io module~mod_memory->module~mod_io module~mod_topology->module~mod_memory module~mod_topology->module~mod_adjacency_mat module~mod_adjacency_mat->module~mod_memory module~mod_neighbor_list->module~mod_memory module~mod_neighbor_list->module~mod_adjacency_mat module~mod_neighbor_list->module~mod_io module~mod_constants->iso_c_binding module~mod_io->module~mod_constants

Arguments

Type IntentOptional Attributes Name
type(ommp_qm_helper), intent(in) :: qm
type(ommp_system), intent(inout) :: s
real(kind=ommp_real), intent(inout) :: evdw_ba(qm%qm_top%mm_atoms)

Calls

proc~~ommp_qm_helper_vdw_energy_by_atom~~CallsGraph proc~ommp_qm_helper_vdw_energy_by_atom ommp_qm_helper_vdw_energy_by_atom interface~mallocate mallocate proc~ommp_qm_helper_vdw_energy_by_atom->interface~mallocate interface~mfree mfree proc~ommp_qm_helper_vdw_energy_by_atom->interface~mfree proc~vdw_potential_inter_restricted vdw_potential_inter_restricted proc~ommp_qm_helper_vdw_energy_by_atom->proc~vdw_potential_inter_restricted proc~r_alloc2 r_alloc2 interface~mallocate->proc~r_alloc2 proc~i_alloc2 i_alloc2 interface~mallocate->proc~i_alloc2 proc~l_alloc1 l_alloc1 interface~mallocate->proc~l_alloc1 proc~l_alloc2 l_alloc2 interface~mallocate->proc~l_alloc2 proc~r_alloc1 r_alloc1 interface~mallocate->proc~r_alloc1 proc~i_alloc1 i_alloc1 interface~mallocate->proc~i_alloc1 proc~r_alloc3 r_alloc3 interface~mallocate->proc~r_alloc3 proc~i_alloc3 i_alloc3 interface~mallocate->proc~i_alloc3 proc~l_free2 l_free2 interface~mfree->proc~l_free2 proc~l_free1 l_free1 interface~mfree->proc~l_free1 proc~r_free3 r_free3 interface~mfree->proc~r_free3 proc~i_free1 i_free1 interface~mfree->proc~i_free1 proc~r_free2 r_free2 interface~mfree->proc~r_free2 proc~i_free3 i_free3 interface~mfree->proc~i_free3 proc~r_free1 r_free1 interface~mfree->proc~r_free1 proc~i_free2 i_free2 interface~mfree->proc~i_free2 proc~get_eij_inter get_eij_inter proc~vdw_potential_inter_restricted->proc~get_eij_inter proc~fatal_error fatal_error proc~vdw_potential_inter_restricted->proc~fatal_error proc~get_rij0_inter get_Rij0_inter proc~vdw_potential_inter_restricted->proc~get_rij0_inter proc~chk_free chk_free proc~l_free2->proc~chk_free proc~l_free1->proc~chk_free proc~chk_alloc chk_alloc proc~r_alloc2->proc~chk_alloc proc~memory_init memory_init proc~r_alloc2->proc~memory_init proc~i_alloc2->proc~chk_alloc proc~i_alloc2->proc~memory_init proc~l_alloc1->proc~chk_alloc proc~l_alloc1->proc~memory_init proc~l_alloc2->proc~chk_alloc proc~l_alloc2->proc~memory_init proc~r_free3->proc~chk_free proc~i_free1->proc~chk_free proc~ommp_message ommp_message proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~r_free2->proc~chk_free proc~i_free3->proc~chk_free proc~r_alloc1->proc~chk_alloc proc~r_alloc1->proc~memory_init proc~i_alloc1->proc~chk_alloc proc~i_alloc1->proc~memory_init proc~r_alloc3->proc~chk_alloc proc~r_alloc3->proc~memory_init proc~i_alloc3->proc~chk_alloc proc~i_alloc3->proc~memory_init proc~r_free1->proc~chk_free proc~i_free2->proc~chk_free proc~chk_free->proc~fatal_error proc~chk_alloc->proc~fatal_error proc~close_output->proc~ommp_message

Called by

proc~~ommp_qm_helper_vdw_energy_by_atom~~CalledByGraph proc~ommp_qm_helper_vdw_energy_by_atom ommp_qm_helper_vdw_energy_by_atom proc~c_ommp_qm_helper_vdw_energy_by_atoms C_ommp_qm_helper_vdw_energy_by_atoms proc~c_ommp_qm_helper_vdw_energy_by_atoms->proc~ommp_qm_helper_vdw_energy_by_atom

Contents