nl_update Subroutine

public subroutine nl_update(nl, c)

Uses

  • proc~~nl_update~~UsesGraph proc~nl_update nl_update module~mod_io mod_io proc~nl_update->module~mod_io module~mod_profiling mod_profiling proc~nl_update->module~mod_profiling module~mod_adjacency_mat mod_adjacency_mat proc~nl_update->module~mod_adjacency_mat module~mod_constants mod_constants proc~nl_update->module~mod_constants module~mod_io->module~mod_constants module~mod_profiling->module~mod_io module~mod_profiling->module~mod_constants module~mod_memory mod_memory module~mod_profiling->module~mod_memory module~mod_adjacency_mat->module~mod_memory iso_c_binding iso_c_binding module~mod_constants->iso_c_binding module~mod_memory->module~mod_io module~mod_memory->module~mod_constants module~mod_memory->iso_c_binding

TODO this should be improved

Arguments

Type IntentOptional Attributes Name
type(ommp_neigh_list), intent(inout) :: nl

Neigh list object to initialize
real(kind=rp), intent(in) :: c(3,nl%n)

Coordinates in input

Calls

proc~~nl_update~~CallsGraph proc~nl_update nl_update proc~time_push time_push proc~nl_update->proc~time_push proc~reverse_grp_tab reverse_grp_tab proc~nl_update->proc~reverse_grp_tab proc~time_pull time_pull proc~nl_update->proc~time_pull proc~ommp_message ommp_message proc~nl_update->proc~ommp_message interface~mfree mfree proc~nl_update->interface~mfree proc~mem_stat mem_stat proc~time_push->proc~mem_stat proc~fatal_error fatal_error proc~time_push->proc~fatal_error proc~reverse_grp_tab->interface~mfree proc~compress_list compress_list proc~reverse_grp_tab->proc~compress_list interface~mallocate mallocate proc~reverse_grp_tab->interface~mallocate proc~time_pull->proc~ommp_message proc~time_pull->proc~mem_stat proc~time_pull->proc~fatal_error proc~l_free2 l_free2 interface~mfree->proc~l_free2 proc~l_free1 l_free1 interface~mfree->proc~l_free1 proc~r_free1 r_free1 interface~mfree->proc~r_free1 proc~i_free1 i_free1 interface~mfree->proc~i_free1 proc~r_free3 r_free3 interface~mfree->proc~r_free3 proc~i_free2 i_free2 interface~mfree->proc~i_free2 proc~r_free2 r_free2 interface~mfree->proc~r_free2 proc~i_free3 i_free3 interface~mfree->proc~i_free3 proc~chk_free chk_free proc~l_free2->proc~chk_free proc~l_free1->proc~chk_free proc~memory_init memory_init proc~mem_stat->proc~memory_init proc~compress_list->interface~mfree proc~compress_list->interface~mallocate proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~l_alloc2 l_alloc2 interface~mallocate->proc~l_alloc2 proc~r_alloc1 r_alloc1 interface~mallocate->proc~r_alloc1 proc~i_alloc2 i_alloc2 interface~mallocate->proc~i_alloc2 proc~i_alloc1 i_alloc1 interface~mallocate->proc~i_alloc1 proc~r_alloc3 r_alloc3 interface~mallocate->proc~r_alloc3 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~r_free1->proc~chk_free proc~i_free1->proc~chk_free proc~r_free3->proc~chk_free proc~i_free2->proc~chk_free proc~r_free2->proc~chk_free proc~i_free3->proc~chk_free proc~l_alloc2->proc~memory_init proc~chk_alloc chk_alloc proc~l_alloc2->proc~chk_alloc proc~chk_free->proc~fatal_error proc~r_alloc1->proc~memory_init proc~r_alloc1->proc~chk_alloc proc~close_output->proc~ommp_message 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_alloc3->proc~memory_init proc~r_alloc3->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~chk_alloc->proc~fatal_error

Called by

proc~~nl_update~~CalledByGraph proc~nl_update nl_update proc~nl_init nl_init proc~nl_init->proc~nl_update proc~vdw_init vdw_init proc~vdw_init->proc~nl_init proc~vdw_set_cutoff vdw_set_cutoff proc~vdw_set_cutoff->proc~nl_init proc~qm_helper_init_vdw qm_helper_init_vdw proc~qm_helper_init_vdw->proc~vdw_init proc~assign_vdw assign_vdw proc~assign_vdw->proc~vdw_init proc~ommp_set_vdw_cutoff ommp_set_vdw_cutoff proc~ommp_set_vdw_cutoff->proc~vdw_set_cutoff 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 proc~qm_helper_init_vdw_prm qm_helper_init_vdw_prm proc~qm_helper_init_vdw_prm->proc~assign_vdw proc~mmpol_init_from_xyz mmpol_init_from_xyz proc~mmpol_init_from_xyz->proc~assign_vdw proc~ommp_system_from_qm_helper ommp_system_from_qm_helper proc~ommp_system_from_qm_helper->proc~assign_vdw proc~c_ommp_set_vdw_cutoff C_ommp_set_vdw_cutoff proc~c_ommp_set_vdw_cutoff->proc~ommp_set_vdw_cutoff proc~ommp_create_link_atom ommp_create_link_atom proc~ommp_create_link_atom->proc~qm_helper_init_vdw_prm proc~ommp_init_xyz ommp_init_xyz proc~ommp_init_xyz->proc~mmpol_init_from_xyz program~test_si_geomgrad test_SI_geomgrad program~test_si_geomgrad->proc~ommp_system_from_qm_helper proc~c_ommp_qm_helper_init_vdw_prm C_ommp_qm_helper_init_vdw_prm proc~c_ommp_qm_helper_init_vdw_prm->proc~qm_helper_init_vdw_prm proc~c_ommp_system_from_qm_helper C_ommp_system_from_qm_helper proc~c_ommp_system_from_qm_helper->proc~ommp_system_from_qm_helper program~test_si_geomgrad_num test_SI_geomgrad_num program~test_si_geomgrad_num->proc~ommp_system_from_qm_helper proc~c_ommp_create_link_atom C_ommp_create_link_atom proc~c_ommp_create_link_atom->proc~ommp_create_link_atom proc~c_ommp_init_xyz C_ommp_init_xyz proc~c_ommp_init_xyz->proc~ommp_init_xyz

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