m_mc_moves Module


Uses

  • module~~m_mc_moves~~UsesGraph module~m_mc_moves m_mc_moves module~m_constants_math m_constants_math module~m_mc_moves->module~m_constants_math module~m_globals m_globals module~m_mc_moves->module~m_globals module~m_interaction m_interaction module~m_mc_moves->module~m_interaction module~m_nbr_lists m_nbr_lists module~m_mc_moves->module~m_nbr_lists module~m_precision m_precision module~m_mc_moves->module~m_precision module~m_ran_num m_ran_num module~m_mc_moves->module~m_ran_num module~m_constants_math->module~m_precision module~m_globals->module~m_precision module~m_ia_types m_ia_types module~m_globals->module~m_ia_types module~m_trajectory m_trajectory module~m_globals->module~m_trajectory module~m_interaction->module~m_constants_math module~m_interaction->module~m_globals module~m_interaction->module~m_nbr_lists module~m_interaction->module~m_precision module~m_ia_angle m_ia_angle module~m_interaction->module~m_ia_angle module~m_ia_bond m_ia_bond module~m_interaction->module~m_ia_bond module~m_ia_dihedral m_ia_dihedral module~m_interaction->module~m_ia_dihedral module~m_ia_external m_ia_external module~m_interaction->module~m_ia_external module~m_ia_tether m_ia_tether module~m_interaction->module~m_ia_tether module~m_ia_vdw m_ia_vdw module~m_interaction->module~m_ia_vdw module~m_qsort m_qsort module~m_interaction->module~m_qsort module~m_nbr_lists->module~m_globals module~m_nbr_lists->module~m_precision module~m_table m_table module~m_nbr_lists->module~m_table module~m_vector m_vector module~m_nbr_lists->module~m_vector iso_fortran_env iso_fortran_env module~m_precision->iso_fortran_env module~m_ran_num->module~m_precision mkl_vsl mkl_vsl module~m_ran_num->mkl_vsl mkl_vsl_type mkl_vsl_type module~m_ran_num->mkl_vsl_type module~m_ia_angle->module~m_constants_math module~m_ia_angle->module~m_precision module~m_ia_angle->module~m_ia_types module~m_spline m_spline module~m_ia_angle->module~m_spline module~m_ia_bond->module~m_constants_math module~m_ia_bond->module~m_precision module~m_ia_bond->module~m_ia_types module~m_ia_bond->module~m_spline module~m_ia_dihedral->module~m_constants_math module~m_ia_dihedral->module~m_precision module~m_ia_dihedral->module~m_ia_types module~m_ia_external->module~m_constants_math module~m_ia_external->module~m_precision module~m_ia_external->module~m_ia_types module~m_ia_tether->module~m_constants_math module~m_ia_tether->module~m_precision module~m_ia_tether->module~m_ia_types module~m_ia_types->module~m_precision module~m_ia_vdw->module~m_constants_math module~m_ia_vdw->module~m_precision module~m_ia_vdw->module~m_ia_types module~m_ia_vdw->module~m_spline module~m_qsort->module~m_precision module~m_table->module~m_precision module~m_table->module~m_vector module~m_trajectory->module~m_precision module~m_vector->module~m_precision module~m_vector->module~m_qsort

Used by

  • module~~m_mc_moves~~UsedByGraph module~m_mc_moves m_mc_moves module~m_mc_solver m_mc_solver module~m_mc_solver->module~m_mc_moves module~m_setup m_setup module~m_setup->module~m_mc_solver program~main main program~main->module~m_mc_solver program~main->module~m_setup

Variables

Type Visibility Attributes Name Initial
real(kind=rp), public, dimension(:,:), allocatable :: coordinates_pvt

Subroutines

public subroutine mcm_dspl()

Performs displacement move.

Arguments

None

public subroutine mcm_crnk(is_ring)

Performs crankshaft move (including end-bond rotation) on an unbranched chain or ring. End-bond rotation will not be performed for rings.

Arguments

Type IntentOptional Attributes Name
logical, intent(in) :: is_ring

public subroutine mcm_sc_crnk()

Performs side chain crankshaft move.

Arguments

None

public subroutine mcm_pivot()

Performs a pivot move. Does not use a Verlet list.

Arguments

None

public subroutine mcm_res_pivot()

Performs a restricted pivot move on the backbone. Does not use a Verlet list. Unlike usual pivot, the rotation axis for is chosen along the bond incident to the pivot point. This move may be useful for molecules that are restricted to be in a stretched conformation or if angular constraints need to be respected.

Arguments

None

public subroutine mcm_dbl_pivot()

Performs double pivot move (for rings). Does not use Verlet list.

Arguments

None

public subroutine mcm_sc_pivot()

Performs pivot move on side chains. Does not use Verlet list.

Arguments

None

public subroutine to_com()

Brings the center-of-mass of the molecule to the origin.

Arguments

None