(git:0de0cc2)
md_energies.F File Reference

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Modules

module  md_energies
 prints all energy info per timestep to the screen or to user defined output files
 

Functions/Subroutines

subroutine, public md_energies::initialize_md_ener (md_ener, force_env, simpar)
 ... More...
 
subroutine, public md_energies::md_energy (md_env, md_ener)
 ... More...
 
subroutine, public md_energies::md_ener_reftraj (md_env, md_ener)
 ... More...
 
subroutine, public md_energies::md_write_output (md_env)
 This routine computes the conserved quantity, temperature and things like that and prints them out. More...
 
integer(kind=int_8) function, public md_energies::sample_memory (para_env)
 Samples memory usage. More...