Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / fishjojo/pyscfad issues and pull requests
#49 - Ensure matrix logarithms are real for orbital localization
Pull Request -
State: closed - Opened by fishjojo 9 days ago
#48 - Ensure matrix logarithms are real for orbital localization
Pull Request -
State: closed - Opened by jonas-greiner 9 days ago
- 1 comment
#47 - minor update
Pull Request -
State: closed - Opened by fishjojo 9 days ago
#46 - Differences in SCF implementation in PySCF and PySCFAD. Bug or different conventions??
Issue -
State: closed - Opened by mkrompiec 11 days ago
- 7 comments
#45 - building pyscfadlib with intel mkl
Issue -
State: closed - Opened by mkrompiec 15 days ago
- 1 comment
#44 - Ensure real solution of logm for localized orbitals
Issue -
State: closed - Opened by jonas-greiner 23 days ago
- 6 comments
#43 - fix release pipeline
Pull Request -
State: closed - Opened by fishjojo about 2 months ago
#42 - Release 0.1.7
Pull Request -
State: closed - Opened by fishjojo about 2 months ago
#41 - [DOC] fix build
Pull Request -
State: closed - Opened by fishjojo about 2 months ago
#41 - [DOC] fix build
Pull Request -
State: closed - Opened by fishjojo about 2 months ago
#40 - add api reference for pyscfad.util
Pull Request -
State: closed - Opened by fishjojo about 2 months ago
#40 - add api reference for pyscfad.util
Pull Request -
State: closed - Opened by fishjojo about 2 months ago
#39 - various update
Pull Request -
State: open - Opened by fishjojo about 2 months ago
#39 - various update
Pull Request -
State: closed - Opened by fishjojo about 2 months ago
#38 - Release 0.1.6
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#37 - Update GMRES according to scipy update
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#36 - fix import error
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#35 - Fix PBC lattice response
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#34 - problem executing example 10-stress.py
Issue -
State: closed - Opened by caperott 3 months ago
- 2 comments
#33 - Fix pyscfadlib dynamic link
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#32 - Fix macos wheel upload
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#32 - Fix macos wheel upload
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#31 - Fix macos wheels publish to pypi
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#31 - Fix macos wheels publish to pypi
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#30 - Update publish workflow
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#29 - Release 0.1.5
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#28 - various updates
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#28 - various updates
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#27 - fix ci workflow
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#26 - add doc
Pull Request -
State: closed - Opened by fishjojo 3 months ago
#25 - Update README.md
Pull Request -
State: closed - Opened by fishjojo 5 months ago
#24 - Fix LRC-RKS
Pull Request -
State: closed - Opened by fishjojo 5 months ago
#23 - LRC hybrid functional energy difference between PySCFAD and PySCF
Issue -
State: closed - Opened by jstoppelman 5 months ago
- 3 comments
#22 - Conversion function between pyscf and pyscfad
Issue -
State: open - Opened by sunqm 6 months ago
- 1 comment
#21 - Release v0.1.4
Pull Request -
State: closed - Opened by fishjojo 7 months ago
#20 - OO-CCD
Issue -
State: open - Opened by zww-4855 10 months ago
- 5 comments
#19 - RDM implementation
Issue -
State: closed - Opened by pietrodalcin00 12 months ago
- 1 comment
#18 - update installation
Pull Request -
State: closed - Opened by fishjojo about 1 year ago
#17 - Different errors running examples
Issue -
State: closed - Opened by pietrodalcin00 about 1 year ago
- 9 comments
#16 - ERI symmetry?
Issue -
State: closed - Opened by mkrompiec about 1 year ago
- 4 comments
#15 - Examples not working
Issue -
State: closed - Opened by AlexanderMath about 1 year ago
- 2 comments
#14 - example of geometry optimization for RPA using PyBerny
Pull Request -
State: closed - Opened by EgorTrushin over 1 year ago
- 1 comment
#13 - Recomputing automatic derivatives in pyscfad
Issue -
State: closed - Opened by deyanmihaylov over 1 year ago
- 4 comments
#12 - release v0.1.2
Pull Request -
State: closed - Opened by fishjojo over 1 year ago
#11 - add AD support for ROHF
Pull Request -
State: closed - Opened by fishjojo over 1 year ago
#10 - Add missing installation steps in the README.md
Pull Request -
State: closed - Opened by vandan-revanur over 1 year ago
#9 - Implement ROHF in pyscfad
Issue -
State: closed - Opened by deyanmihaylov over 1 year ago
- 7 comments
#8 - from pyscf.lib import ops
Issue -
State: closed - Opened by deyanmihaylov over 1 year ago
- 4 comments
#7 - Manually compile the ad branch of pyscf
Issue -
State: closed - Opened by zhouyz08 almost 2 years ago
- 2 comments
#6 - Circular import in `pyscfad.lib`
Issue -
State: closed - Opened by shivupa almost 2 years ago
- 2 comments
#5 - Is B3LYP numpy or libxc?
Issue -
State: closed - Opened by alexm-gc about 2 years ago
- 1 comment
#4 - pyscf install issue
Issue -
State: closed - Opened by zhouyz08 about 2 years ago
- 6 comments
#3 - add UKS to pyscfad
Pull Request -
State: open - Opened by yangdatou over 2 years ago
#2 - Add UHF to pyscfad
Pull Request -
State: closed - Opened by yangdatou about 3 years ago
#1 - Some theoritical questions
Issue -
State: closed - Opened by ajz34 over 3 years ago
- 2 comments