Documentation for module md_energies

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

source: md_energies.F
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public Subroutines/Functions:

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SUBROUTINE
md_energy (md_env, md_ener)
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SUBROUTINE
md_write_output (md_env)
This routine computes the conserved quantity, temperature and things like that and prints them out

SUBROUTINEinitialize_md_ener(md_ener, force_env, simpar)

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Arguments:
POINTER
:: md_ener ...
POINTER
:: force_env ...
POINTER
:: simpar ...

SUBROUTINEmd_energy(md_env, md_ener)

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Arguments:
POINTER
:: md_env ...
POINTER
:: md_ener ...

SUBROUTINEmd_ener_reftraj(md_env, md_ener)

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Arguments:
POINTER
:: md_env ...
POINTER
:: md_ener ...

SUBROUTINEmd_write_output(md_env)

This routine computes the conserved quantity, temperature and things like that and prints them out

Arguments:
POINTER
:: md_env ...