(git:0de0cc2)
replica_methods.F File Reference

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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 More...
 
subroutine, public replica_methods::rep_env_calc_e_f (rep_env, calc_f)
 evaluates the forces More...