Ecosyste.ms: Issues

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

GitHub / minoria-hiroshima/sum_dirac_dfcoef issues and pull requests

#61 - Refactor negative energy eigenvalue

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: bug, refactor

#60 - Refactor print order

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: documentation, refactor

#59 - Add --no-scf option

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: documentation, enhancement

#58 - Release sum_dirac_dfcoef 3.0.0

Pull Request - State: closed - Opened by github-actions[bot] 11 months ago
Labels: release, major

#57 - Read moltra section

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: enhancement

#56 - Fix PrintVersionExitAction call signature

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: bug

#54 - Fix comment out line handling in electron_num.py

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago

#53 - Add regex pattern for .SCF section in electron_num.py

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: bug

#52 - Get electron num

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: enhancement

#51 - 総電子数の情報を得る

Issue - State: closed - Opened by kohei-noda-qcrg 11 months ago

#50 - Update README.md

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: documentation

#49 - Refactor testscript

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: refactor

#48 - Chore document

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago

#47 - Fix ruff warnings

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: refactor

#46 - File writer

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: refactor

#45 - Chore tools

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago

#44 - Release sum_dirac_dfcoef 2.0.0

Pull Request - State: closed - Opened by github-actions[bot] 11 months ago
Labels: release, major

#43 - Add the eigenvalue information to get the number of orbitals.

Pull Request - State: closed - Opened by kohei-noda-qcrg 11 months ago
Labels: enhancement

#42 - Release sum_dirac_dfcoef 1.0.3

Pull Request - State: closed - Opened by github-actions[bot] about 1 year ago
Labels: release, patch

#41 - Pyproject and readme chore

Pull Request - State: closed - Opened by kohei-noda-qcrg about 1 year ago

#40 - Release sum_dirac_dfcoef 1.0.2

Pull Request - State: closed - Opened by github-actions[bot] about 1 year ago
Labels: release, patch

#39 - Minor Correction

Pull Request - State: closed - Opened by kohei-noda-qcrg about 1 year ago
Labels: documentation

#38 - Release sum_dirac_dfcoef 1.0.1

Pull Request - State: closed - Opened by github-actions[bot] about 1 year ago
Labels: release, patch

#37 - Fix idx issue

Pull Request - State: closed - Opened by kohei-noda-qcrg about 1 year ago
Labels: bug

#36 - Release sum_dirac_dfcoef 1.0.0

Pull Request - State: closed - Opened by github-actions[bot] about 1 year ago
Labels: release, major

#35 - Update README.md

Pull Request - State: closed - Opened by kohei-noda-qcrg about 1 year ago

#34 - No -m option

Pull Request - State: closed - Opened by kohei-noda-qcrg about 1 year ago
Labels: bug, documentation, enhancement

#33 - Release sum_dirac_dfcoef 0.2.3

Pull Request - State: closed - Opened by github-actions[bot] about 1 year ago
Labels: release, patch

#32 - fix: prev_electron_number must be renewed every time

Pull Request - State: closed - Opened by kohei-noda-qcrg about 1 year ago
Labels: bug

#31 - Release sum_dirac_dfcoef 0.2.2

Pull Request - State: closed - Opened by github-actions[bot] about 1 year ago
Labels: release, patch

#30 - Asterisk electron number

Pull Request - State: closed - Opened by kohei-noda-qcrg about 1 year ago
Labels: bug

#29 - Release sum_dirac_dfcoef 0.2.1

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago
Labels: release, patch

#28 - Add -v, --version option

Pull Request - State: closed - Opened by kohei-noda-qcrg over 1 year ago
Labels: enhancement

#27 - Release sum_dirac_dfcoef 0.2.0

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago
Labels: release, minor

#26 - Support Windows

Pull Request - State: closed - Opened by kohei-noda-qcrg over 1 year ago
Labels: documentation, enhancement

#25 - Release sum_dirac_dfcoef 0.1.0

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago

#24 - Add-output-flag

Pull Request - State: closed - Opened by kohei-noda-qcrg over 1 year ago

#23 - Release sum_dirac_dfcoef 0.0.2

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago

#22 - Release sum_dirac_dfcoef 0.0.2

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago

#21 - Release sum_dirac_dfcoef 0.0.2

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago

#20 - Release sum_dirac_dfcoef 0.0.2

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago

#19 - Release sum_dirac_dfcoef 0.0.2

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago

#18 - python packaging

Pull Request - State: closed - Opened by kohei-noda-qcrg over 1 year ago

#17 - Use pymolecule_parser for parse rational formula.

Pull Request - State: closed - Opened by kohei-noda-qcrg over 1 year ago

#16 - -d option settings apply to MO energy

Pull Request - State: closed - Opened by kohei-noda-qcrg over 1 year ago

#15 - -d option doesn't effect to MO energies.

Issue - State: closed - Opened by kohei-noda-qcrg over 1 year ago
Labels: bug

#14 - 示性式のサポート

Issue - State: closed - Opened by kohei-noda-qcrg over 1 year ago - 3 comments
Labels: enhancement

#13 - Is the GUI MO diagrams application useful?

Issue - State: closed - Opened by kohei-noda-qcrg over 1 year ago - 1 comment

#12 - Are the -m, --mol options not needed?

Issue - State: closed - Opened by kohei-noda-qcrg over 1 year ago - 2 comments
Labels: enhancement

#11 - Support positronic inverse symmetry

Pull Request - State: closed - Opened by kohei-noda-qcrg over 1 year ago

#10 - 4成分計算(inverse対称性あり)のときにungeradeの値が取れていない

Issue - State: closed - Opened by kohei-noda-qcrg over 1 year ago - 1 comment
Labels: bug

#9 - Add test_sum_dirac_dfcoeff_compress test

Pull Request - State: closed - Opened by kohei-noda-qcrg over 1 year ago

#8 - Correct the exit condition

Pull Request - State: closed - Opened by kohei-noda-qcrg almost 2 years ago

#7 - Mulliken population が終了条件ではないときがある

Issue - State: closed - Opened by kohei-noda-qcrg almost 2 years ago - 1 comment
Labels: bug

#6 - Energy order sort

Pull Request - State: closed - Opened by kohei-noda-qcrg almost 2 years ago

#5 - Descending order percentage

Pull Request - State: closed - Opened by kohei-noda-qcrg almost 2 years ago

#4 - Sort percentage descending order (per MO)

Issue - State: closed - Opened by kohei-noda-qcrg almost 2 years ago

#3 - Energy order sort

Issue - State: closed - Opened by kohei-noda-qcrg almost 2 years ago

#2 - One line output per mo

Pull Request - State: closed - Opened by kohei-noda-qcrg almost 2 years ago

#1 - Change decimal places

Pull Request - State: closed - Opened by kohei-noda-qcrg almost 2 years ago