mixed_cdft_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	mixed_cdft_methods
	Methods for mixed CDFT calculations.

Functions/Subroutines
subroutine, public	mixed_cdft_methods::mixed_cdft_init (force_env, calculate_forces)
	Initialize a mixed CDFT calculation.
subroutine, public	mixed_cdft_methods::mixed_cdft_build_weight (force_env, calculate_forces, iforce_eval)
	Driver routine to handle the build of CDFT weight/gradient in parallel and serial modes.
subroutine, public	mixed_cdft_methods::mixed_cdft_calculate_coupling (force_env)
	Driver routine to calculate the electronic coupling(s) between CDFT states.