mmpol_init_nonbonded Subroutine

public subroutine mmpol_init_nonbonded(sys_obj)

Enable nonbonded part of pontential

Arguments

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

The object to be initialized

Called by

proc~~mmpol_init_nonbonded~~CalledByGraph proc~mmpol_init_nonbonded mmpol_init_nonbonded proc~mmpol_init_from_xyz mmpol_init_from_xyz proc~mmpol_init_from_xyz->proc~mmpol_init_nonbonded proc~ommp_system_from_qm_helper ommp_system_from_qm_helper proc~ommp_system_from_qm_helper->proc~mmpol_init_nonbonded proc~ommp_init_xyz ommp_init_xyz proc~ommp_init_xyz->proc~mmpol_init_from_xyz 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_nonbonded

Source Code

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

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

        allocate(sys_obj%vdw)
        sys_obj%use_nonbonded = .true.

    end subroutine mmpol_init_nonbonded