helium_interactions.F File Reference

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

Go to the source code of this file.

Modules
module	helium_interactions
	Methods that handle helium-solvent and helium-helium interactions.

Functions/Subroutines
subroutine, public	helium_interactions::helium_calc_energy (helium, pint_env)
	Calculate the helium energy (including helium-solute interaction) More...
real(kind=dp) function, public	helium_interactions::helium_total_link_action (helium)
	Computes the total harmonic link action of the helium. More...
real(kind=dp) function, public	helium_interactions::helium_total_pair_action (helium)
	Computes the total pair action of the helium. More...
real(kind=dp) function, public	helium_interactions::helium_total_inter_action (pint_env, helium)
	Computes the total interaction of the helium with the solute. More...
subroutine, public	helium_interactions::helium_bead_solute_e_f (pint_env, helium, helium_part_index, helium_slice_index, helium_r_opt, energy, force)
	Calculate general helium-solute interaction energy (and forces) between one helium bead and the corresponding solute time slice. More...
subroutine, public	helium_interactions::helium_solute_e_f (pint_env, helium, energy)
	Calculate total helium-solute interaction energy and forces. More...
subroutine, public	helium_interactions::helium_intpot_scan (pint_env, helium_env)
	Scan the helium-solute interaction energy within the periodic cell. More...
elemental real(kind=dp) function, public	helium_interactions::helium_vij (r)
	Helium-helium pair interaction potential. More...