qm_helper_init_vdw Subroutine

public subroutine qm_helper_init_vdw(qm, eps, rad, fac, vdw_type, radius_rule, radius_size, radius_type, epsrule)

Uses

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

Arguments

Type IntentOptional Attributes Name
type(ommp_qm_helper), intent(inout) :: qm
real(kind=rp), intent(in) :: eps(qm%qm_top%mm_atoms)
real(kind=rp), intent(in) :: rad(qm%qm_top%mm_atoms)
real(kind=rp), intent(in) :: fac(qm%qm_top%mm_atoms)
character(len=*) :: vdw_type
character(len=*) :: radius_rule
character(len=*) :: radius_size
character(len=*) :: radius_type
character(len=*) :: epsrule

Calls

proc~~qm_helper_init_vdw~~CallsGraph proc~qm_helper_init_vdw qm_helper_init_vdw proc~fatal_error fatal_error proc~qm_helper_init_vdw->proc~fatal_error proc~vdw_init vdw_init proc~qm_helper_init_vdw->proc~vdw_init proc~ommp_message ommp_message proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~vdw_init->proc~fatal_error interface~mallocate mallocate proc~vdw_init->interface~mallocate proc~nl_init nl_init proc~vdw_init->proc~nl_init proc~r_alloc1 r_alloc1 interface~mallocate->proc~r_alloc1 proc~r_alloc3 r_alloc3 interface~mallocate->proc~r_alloc3 proc~i_alloc2 i_alloc2 interface~mallocate->proc~i_alloc2 proc~i_alloc1 i_alloc1 interface~mallocate->proc~i_alloc1 proc~r_alloc2 r_alloc2 interface~mallocate->proc~r_alloc2 proc~i_alloc3 i_alloc3 interface~mallocate->proc~i_alloc3 proc~l_alloc1 l_alloc1 interface~mallocate->proc~l_alloc1 proc~l_alloc2 l_alloc2 interface~mallocate->proc~l_alloc2 proc~nl_init->proc~fatal_error proc~nl_init->interface~mallocate proc~nl_update nl_update proc~nl_init->proc~nl_update proc~close_output->proc~ommp_message proc~memory_init memory_init proc~r_alloc1->proc~memory_init proc~chk_alloc chk_alloc proc~r_alloc1->proc~chk_alloc proc~r_alloc3->proc~memory_init proc~r_alloc3->proc~chk_alloc proc~i_alloc2->proc~memory_init proc~i_alloc2->proc~chk_alloc proc~i_alloc1->proc~memory_init proc~i_alloc1->proc~chk_alloc proc~r_alloc2->proc~memory_init proc~r_alloc2->proc~chk_alloc proc~i_alloc3->proc~memory_init proc~i_alloc3->proc~chk_alloc proc~l_alloc1->proc~memory_init proc~l_alloc1->proc~chk_alloc proc~l_alloc2->proc~memory_init proc~l_alloc2->proc~chk_alloc proc~nl_update->proc~ommp_message proc~time_push time_push proc~nl_update->proc~time_push interface~mfree mfree proc~nl_update->interface~mfree proc~time_pull time_pull proc~nl_update->proc~time_pull proc~reverse_grp_tab reverse_grp_tab proc~nl_update->proc~reverse_grp_tab proc~chk_alloc->proc~fatal_error proc~time_push->proc~fatal_error proc~mem_stat mem_stat proc~time_push->proc~mem_stat proc~i_free2 i_free2 interface~mfree->proc~i_free2 proc~i_free1 i_free1 interface~mfree->proc~i_free1 proc~r_free3 r_free3 interface~mfree->proc~r_free3 proc~r_free1 r_free1 interface~mfree->proc~r_free1 proc~r_free2 r_free2 interface~mfree->proc~r_free2 proc~i_free3 i_free3 interface~mfree->proc~i_free3 proc~l_free1 l_free1 interface~mfree->proc~l_free1 proc~l_free2 l_free2 interface~mfree->proc~l_free2 proc~time_pull->proc~fatal_error proc~time_pull->proc~ommp_message proc~time_pull->proc~mem_stat proc~reverse_grp_tab->interface~mallocate proc~reverse_grp_tab->interface~mfree proc~compress_list compress_list proc~reverse_grp_tab->proc~compress_list proc~mem_stat->proc~memory_init proc~chk_free chk_free proc~i_free2->proc~chk_free proc~i_free1->proc~chk_free proc~r_free3->proc~chk_free proc~r_free1->proc~chk_free proc~r_free2->proc~chk_free proc~i_free3->proc~chk_free proc~l_free1->proc~chk_free proc~l_free2->proc~chk_free proc~compress_list->interface~mallocate proc~compress_list->interface~mfree proc~chk_free->proc~fatal_error

Called by

proc~~qm_helper_init_vdw~~CalledByGraph proc~qm_helper_init_vdw qm_helper_init_vdw proc~c_ommp_qm_helper_init_vdw C_ommp_qm_helper_init_vdw proc~c_ommp_qm_helper_init_vdw->proc~qm_helper_init_vdw

Contents