interaction.f90 File Reference

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Data Types
type	interaction::lj_params_t

Modules
module	interaction
	Lennard-Jones potential definition.

Functions/Subroutines
subroutine	interaction::lj_params_init (this, epsilon, sigma, cut, shift)
pure double precision function, dimension(3), public	interaction::lj_force (d, r_sq, epsilon, sigma)
pure double precision function, dimension(3), public	interaction::lj_force_9_6 (d, r_sq, epsilon, sigma)
pure double precision function, public	interaction::lj_force_9_3 (z, z_sq, epsilon, sigma)
pure elemental double precision function, public	interaction::lj_energy (r_sq, epsilon, sigma, cut_energy)
pure double precision function, public	interaction::lj_energy_9_6 (r_sq, epsilon, sigma)
pure double precision function, public	interaction::lj_energy_9_3 (z_sq, epsilon, sigma)