Ecosyste.ms: Issues

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

GitHub / joshuasbrown/qc_tools issues and pull requests

#65 - job terminating with the following error

Issue - State: closed - Opened by Sumona23rs 11 months ago - 1 comment

#65 - job terminating with the following error

Issue - State: closed - Opened by Sumona23rs 11 months ago - 1 comment

#63 - Transfer integral calculations on covalently bonded dimers

Issue - State: open - Opened by Pallus19 about 1 year ago

#63 - Transfer integral calculations on covalently bonded dimers

Issue - State: open - Opened by Pallus19 about 1 year ago

#62 - [Snyk] Security upgrade ubuntu from bionic to 18.04

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

#62 - [Snyk] Security upgrade ubuntu from bionic to 18.04

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

#60 - Add CodeQL workflow for GitHub code scanning

Pull Request - State: open - Opened by lgtm-com[bot] almost 2 years ago

#60 - Add CodeQL workflow for GitHub code scanning

Pull Request - State: open - Opened by lgtm-com[bot] almost 2 years ago

#58 - Python

Issue - State: open - Opened by gharib85 over 2 years ago

#58 - Python

Issue - State: open - Opened by gharib85 over 2 years ago

#57 - [Snyk] Security upgrade centos from 7 to centos8

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

#57 - [Snyk] Security upgrade centos from 7 to centos8

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

#56 - Create sonarcloud.yml

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

#56 - Create sonarcloud.yml

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

#55 - [Snyk] Security upgrade ubuntu from bionic to 20.04

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

#55 - [Snyk] Security upgrade ubuntu from bionic to 20.04

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

#54 - Support for other QC packages

Issue - State: open - Opened by JoshuaSBrown over 3 years ago
Labels: help wanted, good first issue

#54 - Support for other QC packages

Issue - State: open - Opened by JoshuaSBrown over 3 years ago
Labels: help wanted, good first issue

#53 - WIP Refactor Version 2.0

Pull Request - State: open - Opened by JoshuaSBrown over 4 years ago - 1 comment
Labels: enhancement

#53 - WIP Refactor Version 2.0

Pull Request - State: open - Opened by JoshuaSBrown over 4 years ago - 1 comment
Labels: enhancement

#52 - Support for ORCA

Issue - State: open - Opened by prvn-pa over 4 years ago - 1 comment

#52 - Support for ORCA

Issue - State: open - Opened by prvn-pa over 4 years ago - 1 comment

#51 - Fix script

Pull Request - State: closed - Opened by JoshuaSBrown almost 5 years ago - 1 comment

#51 - Fix script

Pull Request - State: closed - Opened by JoshuaSBrown almost 5 years ago - 1 comment

#50 - Difficulty in interpreting the output result

Issue - State: closed - Opened by khatiaxomiya about 5 years ago - 8 comments

#50 - Difficulty in interpreting the output result

Issue - State: closed - Opened by khatiaxomiya about 5 years ago - 8 comments

#49 - Fix problem with no spaces when reading in energies from gaussian log…

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

#49 - Fix problem with no spaces when reading in energies from gaussian log…

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

#47 - Add eigen dependency

Pull Request - State: open - Opened by JoshuaSBrown over 5 years ago - 3 comments

#47 - Add eigen dependency

Pull Request - State: open - Opened by JoshuaSBrown over 5 years ago - 3 comments

#46 - Development

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

#46 - Development

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

#45 - Release script clean

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

#45 - Release script clean

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

#44 - Development

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

#44 - Development

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

#43 - Small fixes

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

#43 - Small fixes

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

#42 - Add release and testing on mutiple distros

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

#42 - Add release and testing on mutiple distros

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

#41 - Move to codacy a grade

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

#41 - Move to codacy a grade

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

#40 - Development

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

#40 - Development

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

#39 - Move to codacy A grade

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

#39 - Move to codacy A grade

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

#37 - Fix build release

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

#37 - Fix build release

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

#36 - Reformat Readme

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

#36 - Reformat Readme

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

#35 - Add a Codacy badge to README.md

Pull Request - State: closed - Opened by codacy-badger over 5 years ago

#35 - Add a Codacy badge to README.md

Pull Request - State: closed - Opened by codacy-badger over 5 years ago

#34 - Fix 1.7 release

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

#34 - Fix 1.7 release

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

#32 - Update release

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

#32 - Update release

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

#31 - Added updated string support

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

#31 - Added updated string support

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

#30 - Remove need for git-lfs

Issue - State: closed - Opened by JoshuaSBrown almost 6 years ago

#30 - Remove need for git-lfs

Issue - State: closed - Opened by JoshuaSBrown almost 6 years ago

#29 - Add support for running on windows CLI

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

#29 - Add support for running on windows CLI

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

#28 - Cleaned up wording of error messages to make them more clear

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

#27 - Logfile bug

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

#26 - 'Out_of_range' error happened and can be stably reproduced

Issue - State: closed - Opened by NKUCodingCat almost 6 years ago - 40 comments

#25 - Fix unused error

Pull Request - State: closed - Opened by JoshuaSBrown about 6 years ago - 1 comment

#24 - QC_Tools compliation error

Issue - State: closed - Opened by pradeepvaradwaj about 6 years ago - 2 comments

#22 - terminate called after throwing an instance of 'std::out_of_range'

Issue - State: open - Opened by ghost about 6 years ago - 2 comments

#19 - Added first travis file

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago

#18 - Added first travis file

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago

#17 - Fix orthonoramalization

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago

#16 - Parallelize File Reading

Issue - State: open - Opened by JoshuaSBrown over 6 years ago
Labels: enhancement

#14 - Corrected fixed labels of eA and eB in output

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago

#13 - Fix orthonormalization

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago

#12 - 1. Moved all source files into a src directory

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago

#11 - Added circle ci config files

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago

#10 - 1. Updated namespace to using catnip for safety reasons

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago

#9 - Add a Gitter chat badge to README.md

Pull Request - State: closed - Opened by gitter-badger over 6 years ago

#8 - Problem in matrix multiplication for large molecule with 37 atoms

Issue - State: closed - Opened by dwaipayanroni over 6 years ago - 22 comments
Labels: bug

#7 - slight improvement and minor error correction

Issue - State: closed - Opened by rdft4e over 6 years ago - 6 comments

#6 - it seems that it can't work very well when basis set is very large

Issue - State: closed - Opened by ivorever over 6 years ago - 10 comments
Labels: bug

#5 - Create LICENSE

Pull Request - State: closed - Opened by JoshuaSBrown over 6 years ago