pwdft_environment.F File Reference

#include "./base/base_uses.f90"

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Modules
module	pwdft_environment
	Methods and functions on the PWDFT environment.

Functions/Subroutines
subroutine, public	pwdft_environment::pwdft_init (pwdft_env, root_section, para_env, force_env_section, subsys_section, use_motion_section)
	Initialize the pwdft environment.
subroutine, public	pwdft_environment::pwdft_calc_energy_force (pwdft_env, calculate_forces, calculate_stress)
	Calculate energy and forces within the PWDFT/SIRIUS code.