md_energies.F File Reference

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

Go to the source code of this file.

Modules
module	md_energies
	prints all energy info per timestep to the screen or to user defined output files

Functions/Subroutines
subroutine, public	md_energies::initialize_md_ener (md_ener, force_env, simpar)
	...
subroutine, public	md_energies::md_energy (md_env, md_ener)
	...
subroutine, public	md_energies::md_ener_reftraj (md_env, md_ener)
	...
subroutine, public	md_energies::md_write_output (md_env)
	This routine computes the conserved quantity, temperature and things like that and prints them out.
integer(kind=int_8) function, public	md_energies::sample_memory (para_env)
	Samples memory usage.