virial_types.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Data Types
type	virial_types::virial_type
type	virial_types::virial_p_type

Modules
module	virial_types

Functions/Subroutines
subroutine, public	virial_types::symmetrize_virial (virial)
	Symmetrize the virial components.
subroutine, public	virial_types::zero_virial (virial, reset)
	...
subroutine, public	virial_types::virial_set (virial, pv_total, pv_kinetic, pv_virial, pv_xc, pv_fock_4c, pv_constraint, pv_overlap, pv_ekinetic, pv_ppl, pv_ppnl, pv_ecore_overlap, pv_ehartree, pv_exc, pv_exx, pv_vdw, pv_mp2, pv_nlcc, pv_gapw, pv_lrigpw, pv_availability, pv_calculate, pv_numer, pv_diagonal)
	...