init_vdw_for_link_atom Subroutine

public subroutine init_vdw_for_link_atom(la, iqm, imm, vdw_screening)

Uses

  • proc~~init_vdw_for_link_atom~~UsesGraph proc~init_vdw_for_link_atom init_vdw_for_link_atom module~mod_constants mod_constants proc~init_vdw_for_link_atom->module~mod_constants module~mod_io mod_io proc~init_vdw_for_link_atom->module~mod_io module~mod_topology mod_topology proc~init_vdw_for_link_atom->module~mod_topology iso_c_binding iso_c_binding module~mod_constants->iso_c_binding module~mod_io->module~mod_constants module~mod_adjacency_mat mod_adjacency_mat module~mod_topology->module~mod_adjacency_mat module~mod_memory mod_memory module~mod_topology->module~mod_memory module~mod_adjacency_mat->module~mod_memory module~mod_memory->module~mod_constants module~mod_memory->module~mod_io module~mod_memory->iso_c_binding

Initialize the quantities needed for vdw screening due to the presence of a link atom between iqm and imm

Arguments

Type IntentOptional Attributes Name
type(ommp_link_atom_type), intent(inout) :: la
integer(kind=ip), intent(in) :: iqm
integer(kind=ip), intent(in) :: imm
real(kind=rp), intent(in) :: vdw_screening(:)

Calls

proc~~init_vdw_for_link_atom~~CallsGraph proc~init_vdw_for_link_atom init_vdw_for_link_atom proc~check_conn_matrix check_conn_matrix proc~init_vdw_for_link_atom->proc~check_conn_matrix proc~ommp_message ommp_message proc~init_vdw_for_link_atom->proc~ommp_message proc~check_vdw_pairs check_vdw_pairs proc~init_vdw_for_link_atom->proc~check_vdw_pairs proc~add_screening_pair add_screening_pair proc~init_vdw_for_link_atom->proc~add_screening_pair proc~fatal_error fatal_error proc~check_conn_matrix->proc~fatal_error proc~build_conn_upto_n build_conn_upto_n proc~check_conn_matrix->proc~build_conn_upto_n proc~free_yale_sparse free_yale_sparse proc~check_conn_matrix->proc~free_yale_sparse proc~copy_yale_sparse copy_yale_sparse proc~check_conn_matrix->proc~copy_yale_sparse interface~mallocate mallocate proc~check_vdw_pairs->interface~mallocate interface~mfree mfree proc~check_vdw_pairs->interface~mfree proc~add_screening_pair->proc~ommp_message proc~add_screening_pair->proc~check_vdw_pairs proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~build_conn_upto_n->proc~free_yale_sparse proc~build_conn_upto_n->proc~copy_yale_sparse proc~sparse_identity sparse_identity proc~build_conn_upto_n->proc~sparse_identity proc~mat_andnot mat_andnot proc~build_conn_upto_n->proc~mat_andnot proc~mat_mult mat_mult proc~build_conn_upto_n->proc~mat_mult proc~l_alloc1 l_alloc1 interface~mallocate->proc~l_alloc1 proc~r_alloc2 r_alloc2 interface~mallocate->proc~r_alloc2 proc~i_alloc2 i_alloc2 interface~mallocate->proc~i_alloc2 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~r_free3 r_free3 interface~mfree->proc~r_free3 proc~l_free1 l_free1 interface~mfree->proc~l_free1 proc~i_free1 i_free1 interface~mfree->proc~i_free1 proc~l_free2 l_free2 interface~mfree->proc~l_free2 proc~r_free2 r_free2 interface~mfree->proc~r_free2 proc~i_free2 i_free2 interface~mfree->proc~i_free2 proc~i_free3 i_free3 interface~mfree->proc~i_free3 proc~r_free1 r_free1 interface~mfree->proc~r_free1 proc~memory_init memory_init proc~l_alloc1->proc~memory_init proc~chk_alloc chk_alloc proc~l_alloc1->proc~chk_alloc proc~chk_free chk_free proc~r_free3->proc~chk_free proc~l_free1->proc~chk_free proc~close_output->proc~ommp_message proc~r_alloc2->proc~memory_init proc~r_alloc2->proc~chk_alloc proc~i_alloc2->proc~memory_init proc~i_alloc2->proc~chk_alloc proc~l_alloc2->proc~memory_init proc~l_alloc2->proc~chk_alloc proc~i_free1->proc~chk_free proc~l_free2->proc~chk_free proc~r_free2->proc~chk_free proc~i_free2->proc~chk_free proc~i_free3->proc~chk_free proc~reallocate_mat reallocate_mat proc~mat_andnot->proc~reallocate_mat proc~r_alloc1->proc~memory_init proc~r_alloc1->proc~chk_alloc proc~mat_mult->proc~reallocate_mat proc~i_alloc1->proc~memory_init proc~i_alloc1->proc~chk_alloc proc~r_alloc3->proc~memory_init proc~r_alloc3->proc~chk_alloc proc~i_alloc3->proc~memory_init proc~i_alloc3->proc~chk_alloc proc~r_free1->proc~chk_free proc~chk_free->proc~fatal_error proc~chk_alloc->proc~fatal_error

Called by

proc~~init_vdw_for_link_atom~~CalledByGraph proc~init_vdw_for_link_atom init_vdw_for_link_atom proc~ommp_create_link_atom ommp_create_link_atom proc~ommp_create_link_atom->proc~init_vdw_for_link_atom proc~c_ommp_create_link_atom C_ommp_create_link_atom proc~c_ommp_create_link_atom->proc~ommp_create_link_atom

Contents