Files
lammps/tools/i-pi/ipi/inputs
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..
2020-03-18 23:09:23 +09:00
2020-03-18 23:09:23 +09:00
2020-03-18 23:09:23 +09:00

 -- Input files directory --

 * This is the directory containing the input classes.

 * Files:
   - atoms.py: Creates objects that deal with classical simulations.
   - barostats.py: Creates objects that deal with constant pressure and 
      stress simulations.
   - beads.py: Creates objects that deal with quantum simulations.
   - cell.py: Creates objects that deal with the simulation box.
   - ensembles.py: Creates objects that deal with the different ensembles.
   - forces.py: Creates objects that deal with the jobs to send to 
      the driver code.
   - initializer.py: Creates the objects that deal with initializing the
      simulation.
   - interface.py: Creates objects that deal with socket creation.
   - normalmodes.py: Creates the objects that deal with the normal mode
      transformation.
   - outputs.py: Creates objects that deal with output files.
   - prng.py: Creates the objects that deal with random number generation.
   - simulation.py: Creates objects that deal with all the top level 
      information, such as input/output.
   - thermostats.py: Creates objects that deal with constant temperature 
      simulations.