Page Index - alexandrova-lab-ucla/phd3 GitHub Wiki

34 page(s) in this GitHub Wiki:

• Home
• Getting Started
• Acknowledgments
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• DMD Options in dmdinput.json
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• FAQ
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• FAQ DMD
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• FAQ QM DMD
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• FAQ TURBOMOLE
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• Input Files: definput.json, dmdinput.json, and phdinput.json
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• Installation
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• QM DMD Options in phdinput.json
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• Running DMD Jobs
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• Running QM DMD Jobs
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• Running Turbomole Jobs
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• Sample definput.json
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• Sample dmdinput.json's
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• Turbomole Options in definput.json
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• TURBOMOLE Tutorial
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