19 lines
566 B
Markdown
19 lines
566 B
Markdown
# LAMMPS GJF-2GJ THERMOSTAT EXAMPLE W/ PYTHON
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## GJF-2GJ THERMOSTAT
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This directory contains a python script to run NVT simulations using the GJF-2GJ thermostat.
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The script will vary the timestep and write thermodynamic output to screen.
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This script has True/False options to change how you would like to dump/write your output.
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Example:
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```
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NP=4 #number of processors
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mpirun -np $NP python gjf.py
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```
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## Required LAMMPS packages: MOLECULE package
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## LAMMPS COMPILE MODE: SHLIB
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## LAMMPS OPTIONAL INSTALL: make install-python
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## Required Python packages: mpi4py
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