Repository navigation

Commits

History for

onswap_mc_notebook

Commits on Jul 6, 2021
- Fixed typing information and improved compatibility with google testing infrastructure.
  Sam Schoenholz
  committed
  efd840e
Commits on Jun 29, 2021
- Small transcription errors in tree mapping code.
  Sam Schoenholz
  committed
  8c68506
- Initial commit of tree-map nvt simulation.
  Sam Schoenholz
  committed
  4160e12
- Added experimental Swap MC simulation environment.
  Sam Schoenholz
  committed
  a240574
Commits on Jun 28, 2021
- Revert "Added support for PyTrees in NVE / NVT simulations."
  Sam Schoenholz
  committed
  784db50
- Added support for PyTrees in NVE / NVT simulations.
  Sam Schoenholz
  committed
  60dc2bc
Commits on Jun 26, 2021
- Added a convenience function.
  Sam Schoenholz
  committed
  82e6bd9
- Added option to and to specify parameter combinator.
  Sam Schoenholz
  committed
  0de0a17
Commits on Jun 8, 2021
- Cap neighbor list capacity at system size.
  Sam Schoenholz
  committed
  0d7d9c2
Commits on Apr 24, 2021
- Keyword arguments are now pssed through to Stillinger Weber and BKS Silica potentials.
  Sam Schoenholz
  committed
  18325fa
Commits on Apr 21, 2021
- Merge pull request #133 from google/simulation_refactor_2
  sschoenholz
  authored
  a60b93b
Commits on Apr 20, 2021
- Added missing factor of two to pressure calculation.
  sschoenholz
  authored
  18351c1
Commits on Apr 19, 2021
- Added keyword argument to neighbor list energy functions.
  Sam Schoenholz
  committed
  de5039b
- One more keyword argument.
  sschoenholz
  authored
  0aee130
- Small fix to dynamically updated pressure in NPT simulation.
  sschoenholz
  authored
  7cae224
- Threading keyword arguments to .
  Sam Schoenholz
  committed
  8908a69
Commits on Apr 18, 2021
- One more try at threading kwargs through .
  Sam Schoenholz
  committed
  4857650
- Thread keyword arguments through the function.
  Sam Schoenholz
  committed
  1c95b5f
- Hooked up code to update pressure during NPT simulations.
  Sam Schoenholz
  committed
  dd4feac
- Small typing fixes.
  Sam Schoenholz
  committed
  753d809
- NPT Simulation Refactor. First pass.
  Sam Schoenholz
  committed
  6363c05
Commits on Mar 25, 2021
- Added calls to NeighborList construction.
  Sam Schoenholz
  committed
  6c60d5b
Commits on Mar 15, 2021
- Fixed bug in .
  Sam Schoenholz
  committed
  eeba398
- Small fix to pair_correlation when zero is passed as a radius.
  Sam Schoenholz
  committed
  a54f475
Commits on Mar 12, 2021
- Periodic general refactor.
  Sam Schoenholz
  committed
  8f22d49
Commits on Feb 12, 2021
- Remove extra force term in Langevin Thermostat.
  sschoenholz
  authored
  e8ca65a
- Small fix to frame counting.
  sschoenholz
  authored
  a20c0cb
Commits on Feb 11, 2021
- Fix indexing into dynamic attributes (such as size).
  sschoenholz
  authored
  31f6019
Commits on Feb 5, 2021
- Added option to smap functions to ignore unused keyword argument parameter overwrites.
  Sam Schoenholz
  committed
  72e53d2
Commits on Feb 1, 2021
- Removed as a required keyword argument from remaining simulations.
  Sam Schoenholz
  ~~committed~~
  ~~c55ec95~~
- ~~Improve casting of parameters in . If float64 parameters are passed they are no longer downcast to float32.~~
  ~~Sam Schoenholz~~
  ~~committed~~
  ~~52472f3~~
~~Commits on Jan 19, 2021~~
- ~~Merge pull request #108 from amilmerchant/triplet~~
  ~~ekindogus~~
  ~~authored~~
  ~~b7f887a~~
~~Commits on Jan 13, 2021~~
- ~~Fix documented return type of radial symmetry function.~~
  ~~ananduri~~
  ~~committed~~
  ~~13797b7~~
~~Commits on Dec 9, 2020~~
- ~~Ensure that inputted arguments are only of dimensions 0 or 3 (as 1 and 2 dimensional arguments are not well-defined for triplet interactions).~~
  ~~amilmerchant~~
  ~~committed~~
  ~~461641c~~
- ~~Simplify retreival of parameters based on the central atom~~
  ~~amilmerchant~~
  ~~committed~~
  ~~06d47e4~~

Breadcrumbs

User selector

Datepicker

Commit history

Commits on Jul 6, 2021

Commits on Jun 29, 2021

Commits on Jun 28, 2021

Commits on Jun 26, 2021

Commits on Jun 8, 2021

Commits on Apr 24, 2021

Commits on Apr 21, 2021

Commits on Apr 20, 2021

Commits on Apr 19, 2021

Commits on Apr 18, 2021

Commits on Mar 25, 2021

Commits on Mar 15, 2021

Commits on Mar 12, 2021

Commits on Feb 12, 2021

Commits on Feb 11, 2021

Commits on Feb 5, 2021

Commits on Feb 1, 2021

Commits on Jan 19, 2021

Commits on Jan 13, 2021

Commits on Dec 9, 2020