Go to the source code of this file.
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module | md_energies |
| prints all energy info per timestep to the screen or to user defined output files
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subroutine, public | md_energies::initialize_md_ener (md_ener, force_env, simpar) |
| ...
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subroutine, public | md_energies::md_energy (md_env, md_ener) |
| ...
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subroutine, public | md_energies::md_ener_reftraj (md_env, md_ener) |
| ...
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subroutine, public | md_energies::md_write_output (md_env) |
| This routine computes the conserved quantity, temperature and things like that and prints them out.
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integer(kind=int_8) function, public | md_energies::sample_memory (para_env) |
| Samples memory usage.
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