pint_normalmode.F File Reference

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

Go to the source code of this file.

Modules
module	pint_normalmode
	Data type and methods dealing with PI calcs in normal mode coords.

Functions/Subroutines
subroutine, public	pint_normalmode::normalmode_env_create (normalmode_env, normalmode_section, p, kT, propagator)
	creates the data needed for a normal mode transformation More...
pure subroutine, public	pint_normalmode::normalmode_release (normalmode_env)
	releases the normalmode environment More...
pure subroutine, public	pint_normalmode::normalmode_init_masses (normalmode_env, mass, mass_beads, mass_fict, Q)
	initializes the masses and fictitious masses compatible with the normal mode information More...
subroutine, public	pint_normalmode::normalmode_x2u (normalmode_env, ux, x)
	Transforms from the x into the u variables using a normal mode transformation for the positions. More...
subroutine, public	pint_normalmode::normalmode_u2x (normalmode_env, ux, x)
	transform from the u variable to the x (back normal mode transformation for the positions) More...
subroutine, public	pint_normalmode::normalmode_f2uf (normalmode_env, uf, f)
	normalmode transformation for the forces More...
pure subroutine, public	pint_normalmode::normalmode_calc_uf_h (normalmode_env, mass_beads, ux, uf_h, e_h)
	calculates the harmonic force in the normal mode basis More...