arm61/pylj issues and pull requests

#72 - adjusting docstrings

Pull Request - State: closed - Opened by maximillian-dolan 3 months ago

#71 - Updating Documentation

Pull Request - State: closed - Opened by maximillian-dolan 3 months ago

#70 - removing legacy mixing flag in mc example

Pull Request - State: closed - Opened by maximillian-dolan 4 months ago

#69 - Update RDF calculation sample.py

Pull Request - State: open - Opened by ctudpython 4 months ago - 1 comment

#68 - added different particle types exclusive interactions to md

Pull Request - State: closed - Opened by maximillian-dolan 4 months ago

#67 - added interactive features to first_principles example notebook

Pull Request - State: closed - Opened by maximillian-dolan 5 months ago

#66 - Create release.yml

Pull Request - State: closed - Opened by maximillian-dolan 5 months ago

#65 - Changed forcefields to be class based

Pull Request - State: closed - Opened by maximillian-dolan 5 months ago - 1 comment

#64 - Pylj class

Pull Request - State: closed - Opened by maximillian-dolan 5 months ago

#63 - correcting LJ sigma epsilon energy

Pull Request - State: closed - Opened by maximillian-dolan 5 months ago

#62 - Fixed continuous integration methods

Pull Request - State: closed - Opened by maximillian-dolan 5 months ago

#61 - status of this project

Issue - State: closed - Opened by markgalassi 5 months ago - 1 comment

#60 - adjusted into setup and update scripts so plt widget works

Pull Request - State: closed - Opened by maximillian-dolan 6 months ago

#59 - changed jit to njit

Pull Request - State: closed - Opened by maximillian-dolan 6 months ago - 2 comments

#58 - Documentation improvement

Issue - State: open - Opened by arm61 7 months ago

#57 - Improve object oriented nature of the code

Issue - State: open - Opened by arm61 7 months ago

#56 - Examples using pyodide.

Issue - State: open - Opened by arm61 7 months ago - 1 comment

#55 - Animations not working?

Issue - State: open - Opened by markperri almost 3 years ago - 4 comments

#54 - Add template/information for running notebook on mybinder

Issue - State: closed - Opened by Mi-chael over 3 years ago - 1 comment

#53 - Broken characters in examples

Issue - State: closed - Opened by Mi-chael over 3 years ago - 2 comments

#52 - Fixing examples Jupyter notebooks and adding Dockerfile

Pull Request - State: closed - Opened by fab4100 over 3 years ago - 3 comments

#51 - Examples are broken

Issue - State: closed - Opened by arm61 almost 4 years ago

#50 - Move completely to numba jit

Issue - State: open - Opened by arm61 almost 5 years ago

#49 - fixing appveyor

Pull Request - State: closed - Opened by arm61 over 5 years ago - 1 comment

#48 - Building on https://github.com/arm61/pylj/pull/47

Pull Request - State: closed - Opened by arm61 over 5 years ago - 1 comment

#47 - Fixed issue with Buckingham not working with dr arrays, added appropr…

Pull Request - State: closed - Opened by sansona over 5 years ago - 5 comments

#46 - Buckingham energy/force don't work for arrays

Issue - State: closed - Opened by sansona over 5 years ago - 4 comments

#45 - Updated forcefield tests with dr arrays and different constants

Pull Request - State: closed - Opened by sansona over 5 years ago - 6 comments

#44 - Mention black formatting in CONTRIBUTING.md

Issue - State: closed - Opened by arm61 over 5 years ago - 2 comments

#43 - forcefield.py tests are lazy

Issue - State: open - Opened by arm61 over 5 years ago - 2 comments

#42 - Added sigma epsilon version of Lennard-Jones potential

Pull Request - State: closed - Opened by sansona over 5 years ago - 23 comments

#41 - Improve test coverage

Issue - State: open - Opened by arm61 almost 6 years ago
Labels: help wanted

#40 - Numba

Pull Request - State: closed - Opened by arm61 almost 6 years ago - 1 comment

#39 - Numba

Pull Request - State: closed - Opened by arm61 almost 6 years ago

#38 - include .cff citation file

Issue - State: closed - Opened by arm61 almost 6 years ago - 1 comment

#37 - Symmy596 master

Pull Request - State: closed - Opened by arm61 almost 6 years ago - 1 comment

#36 - Buckingham Potential

Pull Request - State: closed - Opened by symmy596 almost 6 years ago - 1 comment

#35 - implementation of constants is not well thought out

Issue - State: closed - Opened by arm61 almost 6 years ago - 3 comments

#34 - Adding bring your own forcefield docs

Pull Request - State: closed - Opened by arm61 about 6 years ago - 2 comments

#33 - Update documentation to explain how best to write custom forcefields

Issue - State: closed - Opened by arm61 about 6 years ago
Labels: documentation

#32 - Add sigma epsilon LJ potential

Issue - State: closed - Opened by arm61 about 6 years ago - 1 comment
Labels: good first issue

#31 - Add square-well potential

Issue - State: closed - Opened by arm61 about 6 years ago - 2 comments
Labels: good first issue

#30 - Add buckingham forcefield

Issue - State: closed - Opened by arm61 about 6 years ago - 3 comments
Labels: good first issue

#29 - Scaling of the particles

Issue - State: open - Opened by arm61 about 6 years ago
Labels: help wanted, good first issue