Commits · master · Donal MacKernan / Classical-MD-Modules

17 Oct, 2017 1 commit
- Merge branch 'master' of ssh://gitlab.e-cam2020.eu:10022/mackernan/Classical-MD-Modules · cad8e8e2
  Donal MacKernan authored Oct 17, 2017
  
  cad8e8e2
02 May, 2017 2 commits
- Add new directory · c91413af
  Donal MacKernan authored May 02, 2017
  
  c91413af
- Merge branch 'master' of https://gitlab.e-cam2020.eu/E-CAM/Classical-MD-Modules · 3180c9b8
  Donal MacKernan authored May 02, 2017
  
  3180c9b8
05 Apr, 2017 1 commit
- Merge branch 'TSE_module' into 'master' · b3accb2d
  Jony Castagna authored Apr 05, 2017
```
Transition State Ensemble

Closes #14

See merge request !9
```
  b3accb2d
04 Apr, 2017 4 commits
- CHanged link to the files of the repository · 9ffd906b
  Sander Roet authored Apr 04, 2017
  
  9ffd906b
- restructured and added info in the transition state ensemble rst · 49248b0b
  Sander Roet authored Apr 04, 2017
  
  49248b0b
- Merge branch 'master' into TSE_module · 7ce7357b
  Sander Roet authored Apr 04, 2017
  
  7ce7357b
- Changed the link to the repository · 554da682
  Sander Roet authored Apr 04, 2017
  
  554da682
02 Mar, 2017 1 commit
- Merge branch 'title_page' into 'master' · d29e4394
  Alan O'Cais authored Mar 02, 2017
```
More details on title page

See merge request !23
```
  d29e4394
26 Feb, 2017 2 commits
- Fix link errors · 2a3f1b13
  David W.H. Swenson authored Feb 26, 2017
  
  2a3f1b13
- Updates to contributing; OPS section · 96963f53
  David W.H. Swenson authored Feb 26, 2017
```
* Moved the example modules to the contributing section
* Added 10th module to OPS section
* Make distinction between the D1.2 goals and overall OPS modules
```
  96963f53
25 Feb, 2017 1 commit
- Merge remote-tracking branch 'upstream/master' into title_page · 51fbe694
  David W.H. Swenson authored Feb 25, 2017
  
  51fbe694
22 Feb, 2017 1 commit
- Add some more explanatory text · df935626
  Alan O'Cais authored Feb 22, 2017
  
  df935626
15 Feb, 2017 2 commits
- Merge branch 'update_merge_checklist' into 'master' · 8ca57d05
  Alan O'Cais authored Feb 15, 2017
```
Extract contribute to separate file

See merge request !24
```
  8ca57d05
- Extract contribute to separate file · 26268d7e
  Alan O'Cais authored Feb 15, 2017
  
  26268d7e
08 Feb, 2017 11 commits
- Update index.rst · bb673835
  Jony Castagna authored Feb 08, 2017
  
  bb673835
- Update index.rst · a98108e7
  Jony Castagna authored Feb 08, 2017
  
  a98108e7
- Update index.rst · 5c0d3758
  Jony Castagna authored Feb 08, 2017
  
  5c0d3758
- Update index.rst · 761782da
  Jony Castagna authored Feb 08, 2017
  
  761782da
- Update index.rst · 6bdd126b
  Jony Castagna authored Feb 08, 2017
  
  6bdd126b
- Update index.rst · 16e51f26
  Jony Castagna authored Feb 08, 2017
  
  16e51f26
- Update index.rst · 0da3c6d1
  Jony Castagna authored Feb 08, 2017
  
  0da3c6d1
- Update index.rst · df2290d0
  Jony Castagna authored Feb 08, 2017
  
  df2290d0
- Update index.rst · a0dc030f
  Jony Castagna authored Feb 08, 2017
  
  a0dc030f
- Update index.rst · 43f00416
  Jony Castagna authored Feb 08, 2017
  
  43f00416
- Update index.rst · 0389948c
  Jony Castagna authored Feb 08, 2017
  
  0389948c
30 Jan, 2017 1 commit
- Merge branch 'ops_piggybacker' into 'master' · a87a1357
  Jony Castagna authored Jan 30, 2017
```
Module: OPSPiggybacker (conversion utilities)

Closes #12

See merge request !22
```
  a87a1357
27 Jan, 2017 1 commit
- Rewrite testing section of OPSPiggybacker · a3bbfa65
  David W.H. Swenson authored Jan 27, 2017
  
  a3bbfa65
26 Jan, 2017 2 commits
- post-review fixes · 3e875b05
  David W.H. Swenson authored Jan 26, 2017
  
  3e875b05
- Merge branch 'annotated_trajectories' into 'master' · 6c7a3d75
  Jony Castagna authored Jan 26, 2017
```
Module: Annotated trajectories

Closes #11

See merge request !18
```
  6c7a3d75
24 Jan, 2017 3 commits
- Update for better out-of-OPS docs on Piggybacker · 470b01a8
  David W.H. Swenson authored Jan 24, 2017
  
  470b01a8
- Fix grammar · fcceb6c7
  David W.H. Swenson authored Jan 24, 2017
  
  fcceb6c7
- Update annotated_trajectories as separate package · 48d00dee
  David W.H. Swenson authored Jan 24, 2017
  
  48d00dee
23 Jan, 2017 4 commits
- Merge branch 'ops_snapshot_features_1' into 'master' · 0b7f4ec7
  Jony Castagna authored Jan 23, 2017
```
Module: OPS snapshot features (`masses`, `n_degrees_of_freedom`, `instantaneous_temperature`)

Closes #9

See merge request !19
```
  0b7f4ec7
- Merge branch 'ops_flux_rate_analysis' into 'master' · fd44b7ef
  Jony Castagna authored Jan 23, 2017
```
Module: Flux/Rate analysis of existing trajectories in OpenPathSampling

Closes #7

See merge request !4
```
  fd44b7ef
- Merge branch 'ops_committor_analysis' into 'master' · a3e9e81a
  Jony Castagna authored Jan 23, 2017
```
Module: Committor analysis in OpenPathSampling

Closes #5

See merge request !6
```
  a3e9e81a
- Merge branch 'ops_two_way_shooting' into 'master' · 78e91813
  Jony Castagna authored Jan 23, 2017
```
Module: Two-Way Shooting in OpenPathSampling

Closes #8

See merge request !21
```
  78e91813
20 Jan, 2017 2 commits
- Fixes for typo, style · 12da3c13
  David W.H. Swenson authored Jan 20, 2017
  
  12da3c13
- Fix typo · c80acd7f
  David W.H. Swenson authored Jan 20, 2017
  
  c80acd7f
19 Jan, 2017 1 commit
- Updates to the intro text · 2fd4d7a3
  David W.H. Swenson authored Jan 19, 2017
  
  2fd4d7a3