UPEIChemistry
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AimpacPreparationScript
AimpacPreparationScript PublicA script to preapare AIMPAC input scripts for useage on SLURM
Python 1
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GaussianManager
GaussianManager PublicLibrary of tools which help in the automation of submitting gaussian jobs and parsing output files for relevant geometries.
Python 1
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- atomic-images Public
UPEIChemistry/atomic-images’s past year of commit activity - GaussianManager Public
Library of tools which help in the automation of submitting gaussian jobs and parsing output files for relevant geometries.
UPEIChemistry/GaussianManager’s past year of commit activity
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