md_conserved_quantities.F File Reference

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

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Modules
module	md_conserved_quantities
	computes the conserved quantities for a given md ensemble and also kinetic energies, thermo/barostat stuff

Functions/Subroutines
subroutine, public	md_conserved_quantities::compute_conserved_quantity (md_env, md_ener, tkind, tshell, natom)
	calculates conserved quantity.
integer function, public	md_conserved_quantities::calc_nfree_qm (md_env, md_ener)
	Calculates the number of QM degress of freedom.