Commits · md_cookbook · Stefan Kesselheim / jax-md

25 Sep, 2019 2 commits
- Created using Colaboratory · c9d3b7f8
  ekindogus authored Sep 24, 2019
  
  c9d3b7f8
- Created using Colaboratory · 9c1f239c
  ekindogus authored Sep 24, 2019
  
  9c1f239c
22 Sep, 2019 4 commits
- Created using Colaboratory · 47a0e356
  ekindogus authored Sep 21, 2019
  
  47a0e356
- Created using Colaboratory · 69bd98de
  ekindogus authored Sep 21, 2019
  
  69bd98de
- Created using Colaboratory · 07498ead
  ekindogus authored Sep 21, 2019
  
  07498ead
- Update to table of contents. · 7885a763
  sschoenholz authored Sep 21, 2019
  
  7885a763
21 Sep, 2019 2 commits
- Initial commit of JAX MD cookbook, showing different applications of JAX MD. · 8f557e02
  sschoenholz authored Sep 21, 2019
  
  8f557e02
- Added pair correction function. Small fix to periodic_general. · 72b54092
  Sam Schoenholz authored Sep 21, 2019
  
  72b54092
14 Sep, 2019 1 commit
- Fixed dictionary merging to be compatible with Python 2. · 4f341c16
  Sam Schoenholz authored Sep 14, 2019
  
  4f341c16
04 Sep, 2019 2 commits
- Merge pull request #42 from google/issue_41 · 46977cb2
  sschoenholz authored Sep 03, 2019
```
Fixed issue if np.floating number passed to a "pair" mapped function.
```
  46977cb2
- Fixed issue causing NotImplementedError if np.float passed to an smap.pair... · 2fd68165
  Sam Schoenholz authored Sep 03, 2019
```
Fixed issue causing NotImplementedError if np.float passed to an smap.pair function with no species information.
```
  2fd68165
23 Aug, 2019 5 commits
- Merge pull request #37 from google/grid_update · 0dc453b9
  sschoenholz authored Aug 23, 2019
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Update of cell list code along with updated tests.
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  0dc453b9
- Threaded through dynamic_kwargs in cell list code. · ab609509
  Sam Schoenholz authored Aug 23, 2019
  
  ab609509
- Small fix due to JAX google/jax#1229. · 53e3c839
  Sam Schoenholz authored Aug 23, 2019
  
  53e3c839
- Merge branch 'master' into grid_update · 25e7518f
  sschoenholz authored Aug 23, 2019
  
  25e7518f
- Fixed issue where time passed to energy functions caused unexpected kwarg error. · 014ebef1
  Sam Schoenholz authored Aug 23, 2019
  
  014ebef1
22 Aug, 2019 4 commits
- Merge pull request #39 from mattjj/master · d9face05
  sschoenholz authored Aug 22, 2019
```
tweaks for new jax eval_shape api
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  d9face05
- tweaks for new jax eval_shape api · a956d697
  Matthew Johnson authored Aug 22, 2019
  
  a956d697
- Merge pull request #38 from google/issue_36 · 332e0fe5
  sschoenholz authored Aug 21, 2019
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Improved handling of dynamic potential parameters.
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  332e0fe5
- Improved handling of dynamic potential parameters. · 799b54d2
  Sam Schoenholz authored Aug 21, 2019
  
  799b54d2
17 Aug, 2019 1 commit
- Refactor of cell lists along with updated tests. · 007972b9
  sschoenholz authored Aug 16, 2019
  
  007972b9
12 Aug, 2019 1 commit
- Updated jaxlib path in notebooks. (#35) · faaf0aa1
  sschoenholz authored Aug 12, 2019
  
  faaf0aa1
06 Aug, 2019 2 commits
- Merge pull request #31 from google/batching_fix · 7a5cf3b1
  sschoenholz authored Aug 06, 2019
```
Fixed issue caused by JAX #912 where vmap does not work over kwargs.
```
  7a5cf3b1
- Fixed issue caused by JAX #912 where vmap does not work over kwargs. · 8bc195e3
  Sam Schoenholz authored Aug 06, 2019
  
  8bc195e3
17 Jun, 2019 12 commits
- Merge pull request #29 from google/notebook · 3dcbeb0a
  sschoenholz authored Jun 17, 2019
```
Small fix to call simple_spring instead of spring.
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  3dcbeb0a
- Merge branch 'notebook' of https://github.com/google/jax-md into notebook · f561eb5a
  sschoenholz authored Jun 17, 2019
  
  f561eb5a
- Small fix to call simple_spring instead of spring. · 0bd344ec
  sschoenholz authored Jun 17, 2019
  
  0bd344ec
- Merge pull request #28 from google/notebook · a69eaca2
  sschoenholz authored Jun 17, 2019
```
Fixed up a few issues with minimization.ipynb.
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  a69eaca2
- Small fix to pairwise distance calculation. · fedb7548
  sschoenholz authored Jun 17, 2019
  
  fedb7548
- Moved errant minimization.ipynb back to notebooks. · a77d2038
  sschoenholz authored Jun 17, 2019
  
  a77d2038
- Merge pull request #27 from google/notebook · f0776f78
  sschoenholz authored Jun 17, 2019
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Small fix to internal build for EAM test.
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  f0776f78
- Small fix to internal build for EAM test. · 641d6a58
  sschoenholz authored Jun 17, 2019
  
  641d6a58
- Merge pull request #26 from google/notebook · ac318aaa
  sschoenholz authored Jun 17, 2019
```
Added basic support for bonded potentials.
```
  ac318aaa
- Merge branch 'notebook' of https://github.com/google/jax-md into notebook · 9a0b228f
  sschoenholz authored Jun 17, 2019
  
  9a0b228f
- Added a bit more exposition on simple_spring potential. · 72481c5c
  sschoenholz authored Jun 17, 2019
  
  72481c5c
- Added comment to explain vmap application. · a400d77c
  sschoenholz authored Jun 17, 2019
  
  a400d77c
15 Jun, 2019 4 commits
- Fixed naming of soft_sphere_pairwise->soft_sphere_pair. · 404e2474
  sschoenholz authored Jun 14, 2019
  
  404e2474
- Fixed naming of soft_sphere_pairwise->soft_sphere_pair. · 4187db27
  sschoenholz authored Jun 14, 2019
  
  4187db27
- Fixed naming of soft_sphere_pairwise -> soft_sphere_pair. · 23b21d46
  sschoenholz authored Jun 14, 2019
  
  23b21d46
- Added simple spring energy function. · 0bfdac2a
  sschoenholz authored Jun 14, 2019
  
  0bfdac2a