Ecosyste.ms: Issues

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GitHub / rk-lindsey/chimes_calculator issues and pull requests

#54 - Fix issue #53 (Hot fix)

Pull Request - State: open - Opened by RKLindsey over 1 year ago - 1 comment

#53 - python example fails for 3-body parameters

Issue - State: open - Opened by mhellstr over 1 year ago - 1 comment

#52 - Test branch

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

#51 - Hotfix: Fix handling of excluded (3-body) interactions

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

#50 - Segfault on specific parametrization file

Issue - State: closed - Opened by aradi over 1 year ago - 2 comments

#49 - Develop

Pull Request - State: closed - Opened by rk-lindsey almost 2 years ago

#48 - Develop

Pull Request - State: closed - Opened by RKLindsey almost 2 years ago

#47 - Develop

Pull Request - State: closed - Opened by RKLindsey almost 2 years ago

#46 - Merge in BB optimize2 and fix NPT bug for LAMMPS linking

Pull Request - State: closed - Opened by rk-lindsey almost 2 years ago

#45 - Merge pull request #44 from rk-lindsey/develop

Pull Request - State: closed - Opened by rk-lindsey almost 2 years ago

#44 - update g++ version used for OSX in CI

Pull Request - State: closed - Opened by RKLindsey almost 2 years ago

#43 - Update ci.yml

Pull Request - State: closed - Opened by RKLindsey almost 2 years ago

#42 - For fitting

Pull Request - State: closed - Opened by RKLindsey almost 2 years ago

#41 - Merge BB Optimize2 and fix LAMMPS NpT

Pull Request - State: closed - Opened by RKLindsey almost 2 years ago

#40 - Grab optimize2

Pull Request - State: closed - Opened by RKLindsey almost 2 years ago

#38 - Fix chimes_calculator library file names in PES generator utility

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

#37 - Fix chimes_calculator library name in PES Generator

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

#36 - Sync develop with hotfixes in main

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

#35 - Refactor install scripts for robustness, add JHU modfiles for LAMMPS

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

#34 - Update develop branch from main

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

#33 - Edits to install.sh and creation of modfiles/JHU-ARCH.mod

Pull Request - State: closed - Opened by cganley2 about 2 years ago

#32 - Refactor installation script for generalizability

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

#31 - C interface does not handle multiple ChIMES instances

Issue - State: closed - Opened by aradi about 2 years ago - 2 comments

#30 - Update citing.rst

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

#29 - Create published_params.CHON.2+3b.Tersoff.txt

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

#28 - Broken link to the Bitbucket directory

Issue - State: closed - Opened by yurivict almost 3 years ago

#27 - Add MPI Interface

Pull Request - State: closed - Opened by RKLindsey almost 3 years ago

#26 - Update main from develop: Sync BB/GH; Add CI; Conda compatibility

Pull Request - State: closed - Opened by rk-lindsey almost 3 years ago

#25 - Update documentation to match current code.

Pull Request - State: closed - Opened by RKLindsey almost 3 years ago

#24 - Update file naming conventions for test suite compatibility.

Pull Request - State: closed - Opened by RKLindsey almost 3 years ago

#23 - Rationalize installation, run tests via ctest

Pull Request - State: closed - Opened by aradi almost 3 years ago - 6 comments

#22 - Sync develop and main - PRs should now target develop

Pull Request - State: closed - Opened by RKLindsey almost 3 years ago

#21 - Bugfixes: (GCC vs Clang compilation support)

Pull Request - State: closed - Opened by RKLindsey almost 3 years ago

#20 - Compiler flags

Pull Request - State: closed - Opened by aradi almost 3 years ago

#19 - WIP: Hotfix3.suggestion

Pull Request - State: closed - Opened by aradi almost 3 years ago

#18 - Bugfixes:

Pull Request - State: closed - Opened by RKLindsey almost 3 years ago - 4 comments

#17 - Hotfixes

Pull Request - State: closed - Opened by RKLindsey almost 3 years ago

#16 - Bugfixes:

Pull Request - State: closed - Opened by RKLindsey almost 3 years ago

#14 - Add GitHub testing for installation and integration

Pull Request - State: closed - Opened by aradi almost 3 years ago

#13 - Workaround to make serial interface GFortran 7 & 8 compatible

Pull Request - State: closed - Opened by aradi almost 3 years ago - 1 comment

#12 - Increase cmake minimum to enable cache variable override

Pull Request - State: closed - Opened by aradi about 3 years ago

#11 - Keep develop up to date with main

Pull Request - State: closed - Opened by RKLindsey about 3 years ago

#9 - Sync changes with BB (BB develop --> GH develop)

Pull Request - State: closed - Opened by RKLindsey about 3 years ago

#8 - Sync changes with BB (BB master --> GH main)

Pull Request - State: closed - Opened by RKLindsey about 3 years ago

#7 - Distribution

Pull Request - State: closed - Opened by aradi about 3 years ago - 3 comments

#5 - Develop

Pull Request - State: closed - Opened by rk-lindsey over 3 years ago

#4 - Develop

Pull Request - State: closed - Opened by rk-lindsey over 3 years ago

#3 - Modern Fortran 2008 serial interface

Pull Request - State: closed - Opened by aradi over 3 years ago - 5 comments

#2 - Set default debug level

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

#1 - CMake install writes into source directory

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