torsion_terminate Subroutine

public subroutine torsion_terminate(bds)

Uses

  • proc~~torsion_terminate~~UsesGraph proc~torsion_terminate torsion_terminate module~mod_memory mod_memory proc~torsion_terminate->module~mod_memory module~mod_io mod_io module~mod_memory->module~mod_io iso_c_binding iso_c_binding module~mod_memory->iso_c_binding module~mod_constants mod_constants module~mod_memory->module~mod_constants module~mod_io->module~mod_constants module~mod_constants->iso_c_binding

Arguments

Type IntentOptional Attributes Name
type(ommp_bonded_type), intent(inout) :: bds

Calls

proc~~torsion_terminate~~CallsGraph proc~torsion_terminate torsion_terminate interface~mfree mfree proc~torsion_terminate->interface~mfree proc~r_free1 r_free1 interface~mfree->proc~r_free1 proc~r_free3 r_free3 interface~mfree->proc~r_free3 proc~i_free2 i_free2 interface~mfree->proc~i_free2 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~l_free1 l_free1 interface~mfree->proc~l_free1 proc~l_free2 l_free2 interface~mfree->proc~l_free2 proc~chk_free chk_free proc~r_free1->proc~chk_free proc~r_free3->proc~chk_free proc~i_free2->proc~chk_free proc~i_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~fatal_error fatal_error proc~chk_free->proc~fatal_error proc~ommp_message ommp_message proc~fatal_error->proc~ommp_message proc~close_output close_output proc~fatal_error->proc~close_output proc~close_output->proc~ommp_message

Called by

proc~~torsion_terminate~~CalledByGraph proc~torsion_terminate torsion_terminate proc~bonded_terminate bonded_terminate proc~bonded_terminate->proc~torsion_terminate proc~init_bonded_for_link_atom init_bonded_for_link_atom proc~init_bonded_for_link_atom->proc~torsion_terminate proc~init_bonded_for_link_atom->proc~bonded_terminate proc~mmpol_terminate mmpol_terminate proc~mmpol_terminate->proc~bonded_terminate proc~ommp_create_link_atom ommp_create_link_atom proc~ommp_create_link_atom->proc~init_bonded_for_link_atom proc~ommp_terminate ommp_terminate proc~ommp_terminate->proc~mmpol_terminate 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_terminate C_ommp_terminate proc~c_ommp_terminate->proc~ommp_terminate program~test_si_init test_SI_init program~test_si_init->proc~ommp_terminate program~test_si_geomgrad test_SI_geomgrad program~test_si_geomgrad->proc~ommp_terminate program~test_si_geomgrad_num test_SI_geomgrad_num program~test_si_geomgrad_num->proc~ommp_terminate program~test_si_potential test_SI_potential program~test_si_potential->proc~ommp_terminate

Contents

Source Code

torsion_terminate

Source Code

    subroutine torsion_terminate(bds)
        use mod_memory, only: mfree

        implicit none

        type(ommp_bonded_type), intent(inout) :: bds
        ! Bonded potential data structure
        if( .not. bds%use_torsion ) return
        
        bds%use_torsion = .false.
        call mfree('torsion_terminate [torsionat]', bds%torsionat)
        call mfree('torsion_terminate [torsamp]', bds%torsamp)
        call mfree('torsion_terminate [torsphase]', bds%torsphase)
        call mfree('torsion_terminate [torsn]', bds%torsn)

    end subroutine torsion_terminate