Commits · 168b05939ee36f68a8c2a24d72f07dab8782657c · 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
```
* Add force constants, reduced masses and normalized normal modes to vibrational analysis

* Formatting to make flake8 happy
```
  168b0593
08 Nov, 2019 1 commit
- Use namedtuple to improve API while still maintaining backward compatibility (#380) · 004f5a52
  Gao, Xiang authored Nov 08, 2019
```
* Use namedtuple to improve API

* improve
```
  004f5a52
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