virial_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	virial_methods

Functions/Subroutines
subroutine, public	virial_methods::virial_update (virial, subsys, para_env)
	Updates the virial given the virial and subsys.
subroutine, public	virial_methods::virial_evaluate (atomic_kind_set, particle_set, local_particles, virial, igroup)
	Computes the kinetic part of the pressure tensor and updates the full VIRIAL (PV)
pure subroutine, public	virial_methods::virial_pair_force (pv_virial, f0, force, rab)
	Computes the contribution to the stress tensor from two-body pair-wise forces.
subroutine, public	virial_methods::write_stress_tensor_components (virial, iw, cell, unit_string)
	...
pure real(kind=dp) function, public	virial_methods::one_third_sum_diag (a)
	...
subroutine, public	virial_methods::write_stress_tensor (pv_virial, iw, cell, unit_string, numerical)
	Print stress tensor to output file.