force_env_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	force_env_methods
	Interface for the force calculations.

Functions/Subroutines
recursive subroutine, public	force_env_methods::force_env_calc_energy_force (force_env, calc_force, consistent_energies, skip_external_control, eval_energy_forces, require_consistent_energy_force, linres, calc_stress_tensor)
	Interface routine for force and energy calculations.
subroutine, public	force_env_methods::force_env_calc_num_pressure (force_env, dx)
	Evaluates the stress tensor and pressure numerically.
subroutine, public	force_env_methods::force_env_create (force_env, root_section, para_env, globenv, fist_env, qs_env, meta_env, sub_force_env, qmmm_env, qmmmx_env, eip_env, pwdft_env, force_env_section, mixed_env, embed_env, nnp_env, ipi_env)
	creates and initializes a force environment