Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / cesmix-mit/InteratomicPotentials.jl issues and pull requests

#52 - Update ACE force descriptor output

Pull Request - State: open - Opened by swyant 5 months ago - 1 comment

#51 - Make DFTK integration an extension module

Pull Request - State: open - Opened by mfherbst 7 months ago

#49 - Zero LJ potential, where non-zero value expected

Issue - State: open - Opened by mfherbst about 1 year ago

#48 - Allow usage with AtomsBase 0.3

Pull Request - State: closed - Opened by mfherbst over 1 year ago - 1 comment

#47 - Add missing imports and change conflicting variable name in README

Pull Request - State: closed - Opened by rashidrafeek over 1 year ago - 1 comment

#46 - Fix README

Pull Request - State: closed - Opened by dynamic-queries over 1 year ago - 1 comment

#45 - README Typo

Issue - State: closed - Opened by dynamic-queries over 1 year ago

#44 - Fix incorrect backticks and formatting in equations.

Pull Request - State: closed - Opened by ayushpatnaikgit over 1 year ago

#43 - CPU Performance enhancements

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

#42 - Update README.md

Pull Request - State: closed - Opened by dallasfoster about 2 years ago

#41 - Documentation

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

#40 - Documentation revamp

Issue - State: open - Opened by jrdegreeff about 2 years ago
Labels: documentation

#39 - LJ Integration Test

Pull Request - State: closed - Opened by dallasfoster about 2 years ago - 1 comment

#37 - How to handle multiple cutoffs in a mixed potential

Issue - State: open - Opened by jrdegreeff about 2 years ago

#36 - Fix previous merge issues and add more unit tests for new features

Pull Request - State: closed - Opened by jrdegreeff about 2 years ago - 1 comment

#35 - Refine parameter interface part 2

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

#34 - add get_rcutoff and get_species functions to API

Pull Request - State: closed - Opened by jrdegreeff about 2 years ago - 1 comment

#33 - reorganize directories and tests in preparation for documentation

Pull Request - State: closed - Opened by jrdegreeff about 2 years ago - 1 comment

#32 - Refine parameter interface

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

#31 - simplify directory structure

Pull Request - State: closed - Opened by jrdegreeff about 2 years ago - 1 comment

#30 - Rework all tests and flesh out unit test suite

Pull Request - State: closed - Opened by jrdegreeff about 2 years ago - 1 comment

#29 - rework interface to enforce Unitful conventions

Pull Request - State: closed - Opened by jrdegreeff about 2 years ago - 1 comment

#28 - Cleanup

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago - 1 comment

#27 - Embedded Atom Method Potential

Pull Request - State: open - Opened by stefanbringuier over 2 years ago - 1 comment

#26 - add badges to README

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago

#25 - remove outdated example

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago

#24 - Working

Pull Request - State: closed - Opened by dallasfoster over 2 years ago

#23 - bump version to 0.1.12

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago

#22 - potential fix for #21

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago - 1 comment

#21 - Neighborlist leads to double counting.

Issue - State: closed - Opened by dallasfoster over 2 years ago

#20 - add energy_and_force to API

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago

#18 - Expose methods with informative interface

Issue - State: closed - Opened by dallasfoster over 2 years ago

#17 - Implement switching functions

Issue - State: open - Opened by dallasfoster over 2 years ago

#16 - fix new distance calculation for Dirichlet boundary conditions

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago - 2 comments

#15 - fix signs on distance calculation

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago

#14 - Redesign methods and structures for multi-element and IAP combinations

Issue - State: open - Opened by dallasfoster over 2 years ago - 4 comments

#13 - Interface InteratomicPotentials.jl with ACE.jl

Issue - State: closed - Opened by dallasfoster over 2 years ago

#12 - Implement explicit multi-element version of SNAP

Issue - State: closed - Opened by dallasfoster over 2 years ago

#11 - Finish implementing ZBL potential

Issue - State: open - Opened by dallasfoster over 2 years ago

#10 - Working

Pull Request - State: closed - Opened by dallasfoster over 2 years ago

#9 - Feedback

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago - 2 comments

#8 - Working

Pull Request - State: closed - Opened by dallasfoster over 2 years ago

#7 - update to support AtomsBase 0.2

Pull Request - State: closed - Opened by jrdegreeff over 2 years ago

#6 - snapcpp

Pull Request - State: open - Opened by exapde over 2 years ago

#5 - [WIP] Updating SNAP Implementation

Pull Request - State: closed - Opened by dallasfoster over 2 years ago

#4 - Revert "Update interatomic potentials"

Pull Request - State: closed - Opened by vchuravy over 2 years ago

#3 - Add an example for using Makie to plot configurations

Pull Request - State: closed - Opened by vchuravy over 2 years ago

#2 - TagBot trigger issue

Issue - State: closed - Opened by JuliaTagBot over 2 years ago - 9 comments

#1 - setup CI

Pull Request - State: closed - Opened by vchuravy over 2 years ago