Merge pull request #482 from akohlmey/add-pair-python
Add python pair style for implementing simple pairwise additive potentials in python
Description
Description
Details
Details
- Committed
GitHub <noreply@github.com> May 18 2017, 19:15 - Pushed
junge Oct 19 2017, 09:53 - Parents
- rLAMMPS65eacb6b9060: Fix compilation warnings in fix_python
rLAMMPScb3344a33715: Merge pull request #489 from akohlmey/thread-safe-biasing - Branches
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Merged Changes
Merged Changes
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 65eacb6b9060 | Richard Berger | Fix compilation warnings in fix_python | May 18 2017 | |||
| 0208fe9996be | Axel Kohlmeyer | update example outputs | May 18 2017 | |||
| 24654ad28f37 | Axel Kohlmeyer | small formatting corrections to pair python style | May 18 2017 | |||
| 8d46aa605606 | Axel Kohlmeyer | add readme file to discuss various python pair style usage examples | May 18 2017 | |||
| 09f3b687f7d7 | Axel Kohlmeyer | new long-rance example with using hybrid/overlay and table only for lj part | May 18 2017 | |||
| 436d3fd76188 | Axel Kohlmeyer | make hybrid example use half the atoms with python, half with lj/cut | May 18 2017 | |||
| 9833f38499a0 | Axel Kohlmeyer | change coulomb example to use cutoff coulomb | May 18 2017 | |||
| 9725708b90b9 | Axel Kohlmeyer | update pair style python docs | May 18 2017 | |||
| 67962b15fc07 | Axel Kohlmeyer | a bunch refactoring changes in the python pair style and the examples | May 18 2017 | |||
| 1d48f287f00a | Axel Kohlmeyer | add partial documentation for pair style python | May 18 2017 | |||
| 43efe9e417ee | Axel Kohlmeyer | adding Pair::single() support to python pair style and examples | May 17 2017 | |||
| 45becfb235d7 | Axel Kohlmeyer | correct author attributions | May 17 2017 | |||
| a34c935e207b | Axel Kohlmeyer | update log files in python pair style example | May 17 2017 | |||
| 13e16dc3f14a | Axel Kohlmeyer | update log files for pair style python examples | May 17 2017 | |||
| 96f0a82aa5ad | Axel Kohlmeyer | simplify class names in pair style python examples. add SPC/E water example | May 17 2017 | |||
| 7caf6cf459d3 | Richard Berger | Change how a Python pair style is loaded | May 17 2017 | |||
| a6f0d700f101 | Richard Berger | Merge branch 'add-pair-python' of github.com:akohlmey/lammps into add-pair… | May 16 2017 | |||
| 14f3deed6b83 | Richard Berger | Minor coefficient lookup improvement | May 16 2017 | |||
| d66a696a845b | Axel Kohlmeyer | avoid preprocessor warnings, by placing Python.h include file on the top, as… | May 16 2017 | |||
| 69ccbd156252 | Richard Berger | Extract common wrappers to Python compatibility header | May 15 2017 | |||
| 93cc6f4a5def | Richard Berger | Use in syntax for key lookup for Python 3 compatibility | May 15 2017 | |||
| 6a1f7e61f2af | Axel Kohlmeyer | provide reference output for python pair style inputs | May 15 2017 | |||
| d662f5d42969 | Axel Kohlmeyer | whitspace cleanup and gitignore update | May 15 2017 | |||
| df55a90ef666 | Axel Kohlmeyer | some example input file tweaks | May 15 2017 | |||
| 6e113c1eaf59 | Axel Kohlmeyer | basic feature complete version of lj melt example with python interaction… | May 15 2017 | |||
| f484ab6dfb9c | Axel Kohlmeyer | completed lj parameter set and compute functions for melt example | May 15 2017 | |||
| 86283c6309ad | Axel Kohlmeyer | make melt input consistent with melt example again | May 15 2017 | |||
| 34cc3946b8d9 | Axel Kohlmeyer | first few pieces of pair style python | May 15 2017 |