mmpol_init_bonded Subroutine

public subroutine mmpol_init_bonded(sys_obj)

Enable nonbonded part of pontential

Arguments

Type IntentOptional Attributes Name
type(ommp_system), intent(inout), target :: sys_obj

The object to be initialized

Called by

proc~~mmpol_init_bonded~~CalledByGraph proc~mmpol_init_bonded mmpol_init_bonded proc~mmpol_init_from_xyz mmpol_init_from_xyz proc~mmpol_init_from_xyz->proc~mmpol_init_bonded proc~ommp_system_from_qm_helper ommp_system_from_qm_helper proc~ommp_system_from_qm_helper->proc~mmpol_init_bonded 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 program~test_si_geomgrad_num test_SI_geomgrad_num program~test_si_geomgrad_num->proc~ommp_system_from_qm_helper 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 proc~c_ommp_init_xyz C_ommp_init_xyz proc~c_ommp_init_xyz->proc~ommp_init_xyz

Contents

Source Code

mmpol_init_bonded

Source Code

    subroutine mmpol_init_bonded(sys_obj)
        !! Enable nonbonded part of pontential
        implicit none

        type(ommp_system), intent(inout), target :: sys_obj
        !! The object to be initialized

        allocate(sys_obj%bds)
        sys_obj%use_bonded = .true.
        sys_obj%bds%top => sys_obj%top

    end subroutine mmpol_init_bonded