This bundle of shell and python scripts aims to help determine whether or not a given DL_POLY simulation has converged.
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Feb 2, 2021 - Python
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dl-poly-simulation
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This shell script concatenates and checks for corruption in the output files generated by performing a DL_POLY simulation and restarted using the restart.sh script.
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Feb 3, 2021 - Shell
This shell script restarts DL_POLY simulations - enabling simulations to be run over multiple jobs.
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Updated
Feb 2, 2021 - Shell
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