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This program was designed to calculate the data points needed to train the artificial neural network potential energy surface. The program is still in use in the current project. It is written in C/C++ and links to the Gaussian 09 software package to carryout the ab-initio quantum calculations.

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Name		Name	Last commit message	Last commit date
Latest commit History 226 Commits
.idea		.idea
bin/Debug		bin/Debug
include/glm		include/glm
src		src
working		working
.gitignore		.gitignore
CMakeLists_dustin.txt		CMakeLists_dustin.txt
CMakeLists_gator.txt		CMakeLists_gator.txt
CMakeLists_mordor.txt		CMakeLists_mordor.txt
README.md		README.md
dnntsbuilder.cbp		dnntsbuilder.cbp

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g09DNNTSBuilder

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This program was designed to calculate the data points needed to train the artificial neural network potential energy surface. The program is still in use in the current project. It is written in C/C++ and links to the Gaussian 09 software package to carryout the ab-initio quantum calculations.

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