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alexandrova-lab-ucla / phd3 Public

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matthew-hennefarth edited this page Jun 8, 2021 · 3 revisions

Work in progression...

Installation
TURBOMOLE
DMD
QM/DMD

Toggle table of contents Pages 17

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

Home
- Installation
- Usage
  - Input Files Primer
  - DMD Jobs
  - TURBOMOLE Jobs
  - QM/DMD Jobs
    - phdinput.json
    - Running QM/DMD Jobs
- FAQ
  - Installation
  - TURBOMOLE
  - DMD
  - QM/DMD
- Acknowledgements

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