replica_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	replica_methods
	methods to setup replicas of the same system differing only by atom positions and velocities (as used in path integral or nudged elastic band for example)

Functions/Subroutines
subroutine, public	replica_methods::rep_env_create (rep_env, para_env, input, input_declaration, nrep, prep, sync_v, keep_wf_history, row_force)
	creates a replica environment together with its force environment
subroutine, public	replica_methods::rep_env_calc_e_f (rep_env, calc_f)
	evaluates the forces