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ondocs

Commits on Apr 15, 2020
- Several minor fixes to get internal tests passing.
  Sam Schoenholz
  committed
  cb7a2a2
Commits on Mar 26, 2020
- Fixed NaNs due to a JAX change in the behavior of np.sqrt at 0.
  Sam Schoenholz
  committed
  cea93ab
Commits on Feb 14, 2020
- Fixed issue with periodic general + vmap.
  Sam Schoenholz
  committed
  4b92b16
Commits on Jan 17, 2020
- Added function to compute cosine of angles.
  ekindogus
  committed
  2a7136a
Commits on Jan 6, 2020
- Removed float16 for TPU compatibility.
  Sam Schoenholz
  committed
  97a7d9f
Commits on Dec 21, 2019
- Fixed issue #58 and added test.
  Sam Schoenholz
  committed
  c26983b
Commits on Dec 12, 2019
- Moved update_test_tolerance to test_util.py.
  Sam Schoenholz
  committed
  06ab2c5
- Add support for matrix-valued parameters with neighborlists.
  Sam Schoenholz
  committed
  dcaeb12
Commits on Dec 11, 2019
- Merge pull request #52 from google/cell_list
  sschoenholz
  authored
  19f6fb1
- Added promotion code for pairwise functions to system functions using neighbor lists.
  Sam Schoenholz
  committed
  d2a820b
Commits on Dec 10, 2019
- Changed EAM tolerance due to changes from JAX.
  ekindogus
  committed
  5b595bf
Commits on Dec 7, 2019
- Mask out self-neighbors in neighbor list.
  Sam Schoenholz
  committed
  e17b524
- Minor cleaning.
  Sam Schoenholz
  committed
  92b02e7
- Split cell list from smap, added verlet list.
  Sam Schoenholz
  committed
  65d0ecf
Commits on Sep 21, 2019
- Added pair correction function. Small fix to periodic_general.
  Sam Schoenholz
  committed
  72b5409
Commits on Sep 4, 2019
- Fixed issue causing NotImplementedError if np.float passed to an smap.pair function with no species information.
  Sam Schoenholz
  committed
  2fd6816
Commits on Aug 23, 2019
- Merge branch 'master' into grid_update
  sschoenholz
  authored
  25e7518
- Fixed issue where time passed to energy functions caused unexpected kwarg error.
  Sam Schoenholz
  committed
  014ebef
Commits on Aug 21, 2019
- Improved handling of dynamic potential parameters.
  Sam Schoenholz
  committed
  799b54d
Commits on Aug 17, 2019
- Refactor of cell lists along with updated tests.
  sschoenholz
  committed
  007972b
Commits on Aug 6, 2019
- Fixed issue caused by JAX #912 where vmap does not work over kwargs.
  Sam Schoenholz
  committed
  8bc195e
Commits on Jun 17, 2019
- Small fix to internal build for EAM test.
  sschoenholz
  committed
  641d6a5
Commits on Jun 14, 2019
- Added preliminary version of bond mapping + tests.
  sschoenholz
  committed
  68a4207
Commits on Jun 11, 2019
- Changed function signature of displacement to act on vectors instead of sets of vectors.
  sschoenholz
  committed
  0fc6cfb
Commits on Jun 7, 2019
- Added Brownian dynamics and tests.
  Sam Schoenholz
  committed
  927b1ba
Commits on Jun 6, 2019
- Added Langevin integrator + tests.
  sschoenholz
  committed
  9ced732
Commits on Jun 1, 2019
- Added initial version of a cutoff function for isotropic functions.
  Sam Schoenholz
  committed
  d08ae91
- Fixed merge conflicts with #19.
  sschoenholz
  committed
  cb9839c
- Adding EAM potential (#19)
  
  ekindogus
  authored and
  sschoenholz
  committed
  25fba32
Commits on May 31, 2019
- Updated spherically symmetric potentials to take a metric.
  sschoenholz
  committed
  5d23f4b
- Adds support for unwrapped positions in spaces. (#18)
  sschoenholz
  authored
  bc1df0f
- Added support for unwrapped positions.
  sschoenholz
  committed
  0137675
Commits on May 30, 2019
- Added tests for quantity.py. Fixed issue in canonicalize_mass when mass was explicitly type cast.
  sschoenholz
  committed
  c6cdcb6
- Fixed parameterization of LJ potential.
  Sam Schoenholz
  committed
  de50b44
- Fixed parameterization of LJ potential.
  Sam Schoenholz
  committed
  574dfcc

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Commits on Apr 15, 2020

Commits on Mar 26, 2020

Commits on Feb 14, 2020

Commits on Jan 17, 2020

Commits on Jan 6, 2020

Commits on Dec 21, 2019

Commits on Dec 12, 2019

Commits on Dec 11, 2019

Commits on Dec 10, 2019

Commits on Dec 7, 2019

Commits on Sep 21, 2019

Commits on Sep 4, 2019

Commits on Aug 23, 2019

Commits on Aug 21, 2019

Commits on Aug 17, 2019

Commits on Aug 6, 2019

Commits on Jun 17, 2019

Commits on Jun 14, 2019

Commits on Jun 11, 2019

Commits on Jun 7, 2019

Commits on Jun 6, 2019

Commits on Jun 1, 2019

Commits on May 31, 2019

Commits on May 30, 2019