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module | replica_types |
| types used to handle many replica of the same system that differ only in atom positions, and velocity. This is useful for things like path integrals or nudged elastic band
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subroutine, public | replica_types::rep_env_release (rep_env) |
| releases the given replica environment More...
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subroutine, public | replica_types::rep_env_sync (rep_env, vals) |
| sends the data from each replica to all the other on replica j/=i data from replica i overwrites val(:,i) More...
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subroutine, public | replica_types::rep_env_sync_results (rep_env, results) |
| sends the data from each replica to all the other in this case the result type is passed More...
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type(replica_env_type) function, pointer, public | replica_types::rep_envs_get_rep_env (id_nr, ierr) |
| returns the replica environment with the given id_nr More...
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subroutine, public | replica_types::rep_envs_add_rep_env (rep_env) |
| adds the given rep_env to the list of controlled rep_envs. More...
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