constraint_util.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	constraint_util
	Contains routines useful for the application of constraints during MD.

Functions/Subroutines
subroutine, public	constraint_util::getold (gci, local_molecules, molecule_set, molecule_kind_set, particle_set, cell)
	saves all of the old variables More...
subroutine, public	constraint_util::pv_constraint (gci, local_molecules, molecule_set, molecule_kind_set, particle_set, virial, group)
	... More...
subroutine, public	constraint_util::check_tol (roll_tol, iroll, char, matrix, veps)
	... More...
subroutine, public	constraint_util::get_roll_matrix (char, r_shake, v_shake, vector_r, vector_v, u)
	... More...
subroutine, public	constraint_util::restore_temporary_set (particle_set, local_particles, pos, vel)
	... More...
subroutine, public	constraint_util::update_temporary_set (group, pos, vel)
	... More...