Commits · 356ccaa2b44128487ce3295cf2c6b768ba57f250 · OpenDAS / torchani

04 Feb, 2020 1 commit
- Now vibrational analysis includes reduced masses, force constants and normalized modes (#413) · 168b0593
  Ignacio Pickering authored Feb 04, 2020
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* Add force constants, reduced masses and normalized normal modes to vibrational analysis

* Formatting to make flake8 happy
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  168b0593
21 May, 2019 1 commit
- Add vibrational mode support (#228) · e88f6266
  Gao, Xiang authored May 21, 2019
  
  e88f6266
10 May, 2019 1 commit
- Add support for analytical hessian and vibrational analysis (#222) · 14d2ef70
  Gao, Xiang authored May 10, 2019
  
  14d2ef70