Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / psi4/psi4numpy issues and pull requests
#100 - remove xfail after psi update
Pull Request -
State: closed - Opened by loriab over 4 years ago
- 5 comments
#100 - remove xfail after psi update
Pull Request -
State: closed - Opened by loriab over 4 years ago
- 5 comments
#99 - DF-LCCSD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
- 2 comments
#99 - DF-LCCSD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
- 2 comments
#98 - DF-LCCD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
- 1 comment
#98 - DF-LCCD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
- 1 comment
#97 - excuse test until psi4 patched
Pull Request -
State: closed - Opened by loriab over 4 years ago
- 1 comment
#97 - excuse test until psi4 patched
Pull Request -
State: closed - Opened by loriab over 4 years ago
- 1 comment
#96 - OLCCD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
- 1 comment
#96 - OLCCD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
- 1 comment
#95 - SCF Vibrational Circular Dichroism (VCD) Simulations
Pull Request -
State: closed - Opened by kcpearce over 4 years ago
- 38 comments
#95 - SCF Vibrational Circular Dichroism (VCD) Simulations
Pull Request -
State: closed - Opened by kcpearce over 4 years ago
- 38 comments
#94 - LCCSD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
#94 - LCCSD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
#93 - LCCD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
- 4 comments
#93 - LCCD
Pull Request -
State: closed - Opened by JonathonMisiewicz over 4 years ago
- 4 comments
#92 - Adds LT-MP2 reference implementation
Pull Request -
State: closed - Opened by obackhouse over 4 years ago
- 3 comments
#92 - Adds LT-MP2 reference implementation
Pull Request -
State: closed - Opened by obackhouse over 4 years ago
- 3 comments
#91 - Fix frequency-dependent iterative CPHF
Pull Request -
State: open - Opened by berquist almost 5 years ago
- 2 comments
#90 - added spin adapted UMP2 to psi4numpy
Pull Request -
State: closed - Opened by mdav2 almost 5 years ago
- 3 comments
#90 - added spin adapted UMP2 to psi4numpy
Pull Request -
State: closed - Opened by mdav2 almost 5 years ago
- 3 comments
#89 - Fix Gradient and Hessian Comparison Values
Pull Request -
State: closed - Opened by kcpearce almost 5 years ago
#89 - Fix Gradient and Hessian Comparison Values
Pull Request -
State: closed - Opened by kcpearce almost 5 years ago
#88 - Hyperlink DOIs to preferred resolver
Pull Request -
State: closed - Opened by katrinleinweber almost 5 years ago
- 2 comments
#88 - Hyperlink DOIs to preferred resolver
Pull Request -
State: closed - Opened by katrinleinweber almost 5 years ago
- 2 comments
#87 - Update MP2.py
Pull Request -
State: closed - Opened by madt99 almost 5 years ago
- 2 comments
#87 - Update MP2.py
Pull Request -
State: closed - Opened by madt99 almost 5 years ago
- 2 comments
#86 - Use optimize=True in einsum
Pull Request -
State: closed - Opened by schneiderfelipe about 5 years ago
- 3 comments
#85 - einsum can now use optimize=True without any issues
Issue -
State: closed - Opened by schneiderfelipe about 5 years ago
- 2 comments
#85 - einsum can now use optimize=True without any issues
Issue -
State: closed - Opened by schneiderfelipe about 5 years ago
- 2 comments
#84 - Can you add some tutorials and examples about TDHF or TDDFT?
Issue -
State: closed - Opened by taipinghu about 5 years ago
- 1 comment
#84 - Can you add some tutorials and examples about TDHF or TDDFT?
Issue -
State: closed - Opened by taipinghu about 5 years ago
- 1 comment
#83 - SAPT0_ROHF test failing
Issue -
State: closed - Opened by kcpearce about 5 years ago
- 2 comments
#83 - SAPT0_ROHF test failing
Issue -
State: closed - Opened by kcpearce about 5 years ago
- 2 comments
#82 - Add tutorial 4c_GGA_and_Meta_GGA
Pull Request -
State: closed - Opened by VHchavez over 5 years ago
- 2 comments
#82 - Add tutorial 4c_GGA_and_Meta_GGA
Pull Request -
State: closed - Opened by VHchavez over 5 years ago
- 2 comments
#81 - Update DF-MP2.py
Pull Request -
State: closed - Opened by bge6 over 5 years ago
- 4 comments
#81 - Update DF-MP2.py
Pull Request -
State: closed - Opened by bge6 over 5 years ago
- 4 comments
#80 - obtaining
Issue -
State: open - Opened by loriab over 5 years ago
#80 - obtaining
Issue -
State: open - Opened by loriab over 5 years ago
#79 - Binder integration
Pull Request -
State: open - Opened by dsirianni over 5 years ago
- 1 comment
#79 - Binder integration
Pull Request -
State: open - Opened by dsirianni over 5 years ago
- 1 comment
#78 - Update README.md
Pull Request -
State: closed - Opened by dgasmith over 5 years ago
- 1 comment
#78 - Update README.md
Pull Request -
State: closed - Opened by dgasmith over 5 years ago
- 1 comment
#77 - heal CI, take 2
Pull Request -
State: closed - Opened by loriab over 5 years ago
- 4 comments
#77 - heal CI, take 2
Pull Request -
State: closed - Opened by loriab over 5 years ago
- 4 comments
#76 - update for v1.3
Pull Request -
State: closed - Opened by loriab over 5 years ago
- 1 comment
#75 - Why no more updates?
Issue -
State: open - Opened by rtransformation over 5 years ago
- 3 comments
#75 - Why no more updates?
Issue -
State: open - Opened by rtransformation over 5 years ago
- 3 comments
#74 - Update density-fitting.ipynb
Pull Request -
State: closed - Opened by hokru over 5 years ago
- 1 comment
#74 - Update density-fitting.ipynb
Pull Request -
State: closed - Opened by hokru over 5 years ago
- 1 comment
#73 - RHF with symmetry
Pull Request -
State: closed - Opened by berquist almost 6 years ago
- 5 comments
#73 - RHF with symmetry
Pull Request -
State: closed - Opened by berquist almost 6 years ago
- 5 comments
#72 - Update 5b_density-fitted-mp2.ipynb
Pull Request -
State: closed - Opened by JonathonMisiewicz almost 6 years ago
- 2 comments
#72 - Update 5b_density-fitted-mp2.ipynb
Pull Request -
State: closed - Opened by JonathonMisiewicz almost 6 years ago
- 2 comments
#71 - Reference implementations not working with current Psi4 master
Issue -
State: closed - Opened by berquist almost 6 years ago
- 2 comments
#71 - Reference implementations not working with current Psi4 master
Issue -
State: closed - Opened by berquist almost 6 years ago
- 2 comments
#70 - NAF DF tensor reduction for MP2
Pull Request -
State: closed - Opened by hokru almost 6 years ago
- 7 comments
#70 - NAF DF tensor reduction for MP2
Pull Request -
State: closed - Opened by hokru almost 6 years ago
- 7 comments
#69 - MP2 Hessians
Pull Request -
State: closed - Opened by kcpearce almost 6 years ago
- 23 comments
#69 - MP2 Hessians
Pull Request -
State: closed - Opened by kcpearce almost 6 years ago
- 23 comments
#68 - IR intensities
Pull Request -
State: closed - Opened by dsirianni almost 6 years ago
- 7 comments
#67 - codata fixes
Pull Request -
State: closed - Opened by loriab about 6 years ago
- 4 comments
#67 - codata fixes
Pull Request -
State: closed - Opened by loriab about 6 years ago
- 4 comments
#66 - Add MP2 Gradients
Pull Request -
State: closed - Opened by kcpearce about 6 years ago
- 18 comments
#66 - Add MP2 Gradients
Pull Request -
State: closed - Opened by kcpearce about 6 years ago
- 18 comments
#65 - Feynman quote
Pull Request -
State: closed - Opened by dgasmith about 6 years ago
- 2 comments
Labels: documentation
#64 - spin-orbital MO antisymmetrized integrals ordering
Issue -
State: open - Opened by tylertak about 6 years ago
- 1 comment
#64 - spin-orbital MO antisymmetrized integrals ordering
Issue -
State: open - Opened by tylertak about 6 years ago
- 1 comment
#63 - Adds the p4n citation
Pull Request -
State: closed - Opened by dgasmith over 6 years ago
- 1 comment
#63 - Adds the p4n citation
Pull Request -
State: closed - Opened by dgasmith over 6 years ago
- 1 comment
#62 - Minor RHF changes
Pull Request -
State: closed - Opened by berquist over 6 years ago
- 1 comment
#62 - Minor RHF changes
Pull Request -
State: closed - Opened by berquist over 6 years ago
- 1 comment
#61 - SCF Gradients for DF JK types
Issue -
State: open - Opened by dgasmith over 6 years ago
#61 - SCF Gradients for DF JK types
Issue -
State: open - Opened by dgasmith over 6 years ago
#60 - RESP and py27
Pull Request -
State: closed - Opened by loriab over 6 years ago
- 6 comments
#60 - RESP and py27
Pull Request -
State: closed - Opened by loriab over 6 years ago
- 6 comments
#59 - Correct runtime output error in Tutorials.
Pull Request -
State: closed - Opened by tyzhang1993 over 6 years ago
- 1 comment
#59 - Correct runtime output error in Tutorials.
Pull Request -
State: closed - Opened by tyzhang1993 over 6 years ago
- 1 comment
#58 - Rearranged code and fixed bug
Pull Request -
State: closed - Opened by alenaizan over 6 years ago
- 4 comments
#58 - Rearranged code and fixed bug
Pull Request -
State: closed - Opened by alenaizan over 6 years ago
- 4 comments
#57 - update install directions
Pull Request -
State: closed - Opened by loriab over 6 years ago
- 1 comment
#57 - update install directions
Pull Request -
State: closed - Opened by loriab over 6 years ago
- 1 comment
#56 - CI: hopefully get int deriv tests running
Pull Request -
State: closed - Opened by loriab over 6 years ago
- 2 comments
#56 - CI: hopefully get int deriv tests running
Pull Request -
State: closed - Opened by loriab over 6 years ago
- 2 comments
#55 - Update 1e_mints-helper.ipynb
Pull Request -
State: closed - Opened by CDSherrill over 6 years ago
- 1 comment
#55 - Update 1e_mints-helper.ipynb
Pull Request -
State: closed - Opened by CDSherrill over 6 years ago
- 1 comment
#54 - WIP Again: Reference Implementations Citations & Doc Update Try 2
Pull Request -
State: closed - Opened by dsirianni over 6 years ago
- 1 comment
#54 - WIP Again: Reference Implementations Citations & Doc Update Try 2
Pull Request -
State: closed - Opened by dsirianni over 6 years ago
- 1 comment
#53 - WIP: Reference Implementations Citations & Doc Update -- fixes #9
Pull Request -
State: closed - Opened by dsirianni over 6 years ago
- 3 comments
#53 - WIP: Reference Implementations Citations & Doc Update -- fixes #9
Pull Request -
State: closed - Opened by dsirianni over 6 years ago
- 3 comments
#52 - Add reference implementation for computing RESP charges
Pull Request -
State: closed - Opened by alenaizan over 6 years ago
- 8 comments
#52 - Add reference implementation for computing RESP charges
Pull Request -
State: closed - Opened by alenaizan over 6 years ago
- 8 comments
#51 - hopefully enable skipping py2
Pull Request -
State: closed - Opened by loriab over 6 years ago
- 1 comment
#51 - hopefully enable skipping py2
Pull Request -
State: closed - Opened by loriab over 6 years ago
- 1 comment
#50 - Add Restrained Electrostatic Potential reference implementation.
Pull Request -
State: closed - Opened by alenaizan over 6 years ago
#50 - Add Restrained Electrostatic Potential reference implementation.
Pull Request -
State: closed - Opened by alenaizan over 6 years ago
#49 - Added sDF-MP2 files
Pull Request -
State: closed - Opened by tylertak over 6 years ago
- 4 comments
#49 - Added sDF-MP2 files
Pull Request -
State: closed - Opened by tylertak over 6 years ago
- 4 comments
#48 - Jupyter front end for cubeprop
Pull Request -
State: open - Opened by andysim over 6 years ago
- 6 comments