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Add (and update) lost input.xml from an old example (i-pi#312)
* Add (and update) lost input.xml * Excluded obsolete (and tricky to automate) example from tests
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<simulation verbosity='high'> | ||
<output prefix='run_YYY/testXXX'> | ||
<trajectory stride='1' filename='vel'> v_centroid </trajectory> | ||
<properties stride='1'> [ step, time{picosecond}, conserved{kelvin}, temperature{kelvin}, kinetic_cv{kelvin}, potential{kelvin}, pressure_cv{megapascal}] </properties> | ||
</output> | ||
<total_steps>8000</total_steps> | ||
<prng> | ||
<seed>31415</seed> | ||
</prng> | ||
<ffsocket name='sgdriver' mode='unix'> | ||
<address>run-YYY-XXX</address> | ||
</ffsocket> | ||
<system> | ||
<initialize nbeads='24'> | ||
<file mode="chk"> run_YYY/RESTART </file> | ||
<velocities mode='thermal' units='kelvin'> 25 </velocities> | ||
</initialize> | ||
<forces> | ||
<force forcefield='sgdriver'> </force> | ||
</forces> | ||
<motion mode='dynamics'> | ||
<dynamics mode='nve'> | ||
<timestep units='femtosecond'> 1 </timestep> | ||
</dynamics> | ||
</motion> | ||
<ensemble> | ||
<temperature units='kelvin'>25</temperature> | ||
</ensemble> | ||
</system> | ||
</simulation> |
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