CP2K 2.4 (Revision 12889)
Namespaces | Functions | Variables

reftraj_util.f90 File Reference

#include "cp_common_uses.h"
Include dependency graph for reftraj_util.f90:

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Namespaces

namespace  reftraj_util
 

Initialize the analysis of trajectories to be done by activating the REFTRAJ ensemble.


Functions

subroutine, public reftraj_util::initialize_reftraj (reftraj, reftraj_section, md_env, error)
subroutine reftraj_util::initialize_msd_reftraj (msd, msd_section, reftraj, md_env, error)
subroutine, public reftraj_util::compute_msd_reftraj (reftraj, md_env, particle_set, error)
subroutine, public reftraj_util::write_output_reftraj (md_env, error)

Variables

CHARACTER(len=*), parameter,
private 
reftraj_util::moduleN = 'reftraj_util'