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

#48 - Jupyter front end for cubeprop

Pull Request - State: open - Opened by andysim over 6 years ago - 6 comments

#47 - Bug fix in SAPT0(ROHF).

Pull Request - State: closed - Opened by konpat over 6 years ago - 3 comments

#47 - Bug fix in SAPT0(ROHF).

Pull Request - State: closed - Opened by konpat over 6 years ago - 3 comments

#46 - Mint release before publication

Issue - State: closed - Opened by dgasmith over 6 years ago - 3 comments

#46 - Mint release before publication

Issue - State: closed - Opened by dgasmith over 6 years ago - 3 comments

#45 - Missing documentation inside EOM-CCSD

Issue - State: closed - Opened by jdmcclain47 almost 7 years ago - 5 comments

#45 - Missing documentation inside EOM-CCSD

Issue - State: closed - Opened by jdmcclain47 almost 7 years ago - 5 comments

#44 - Fixes a small error in SAPT0_no_S2.py

Pull Request - State: closed - Opened by jwaldrop107 almost 7 years ago - 1 comment

#44 - Fixes a small error in SAPT0_no_S2.py

Pull Request - State: closed - Opened by jwaldrop107 almost 7 years ago - 1 comment

#43 - added geom opt tutorials to current psi4numpy branch (manual rebase)

Pull Request - State: closed - Opened by psi-rking almost 7 years ago - 1 comment

#43 - added geom opt tutorials to current psi4numpy branch (manual rebase)

Pull Request - State: closed - Opened by psi-rking almost 7 years ago - 1 comment

#41 - Fix Psi4NumPy-Basics Typos

Pull Request - State: closed - Opened by kcpearce almost 7 years ago - 12 comments

#41 - Fix Psi4NumPy-Basics Typos

Pull Request - State: closed - Opened by kcpearce almost 7 years ago - 12 comments

#40 - Add script for SAPT0 without the Single Exchange Approximation

Pull Request - State: closed - Opened by jwaldrop107 almost 7 years ago - 4 comments

#40 - Add script for SAPT0 without the Single Exchange Approximation

Pull Request - State: closed - Opened by jwaldrop107 almost 7 years ago - 4 comments

#39 - Coupled-Cluster Properties

Pull Request - State: closed - Opened by ashutoshvt almost 7 years ago - 3 comments

#39 - Coupled-Cluster Properties

Pull Request - State: closed - Opened by ashutoshvt almost 7 years ago - 3 comments

#38 - RHF gradients and hessians

Pull Request - State: closed - Opened by ashutoshvt almost 7 years ago - 15 comments

#38 - RHF gradients and hessians

Pull Request - State: closed - Opened by ashutoshvt almost 7 years ago - 15 comments

#37 - Geometry Optimization Tutorials (13!)

Pull Request - State: closed - Opened by psi-rking almost 7 years ago - 23 comments

#37 - Geometry Optimization Tutorials (13!)

Pull Request - State: closed - Opened by psi-rking almost 7 years ago - 23 comments

#36 - Adds tutorial for using Psi4's SADGuess class

Pull Request - State: open - Opened by schiebermc about 7 years ago - 7 comments

#36 - Adds tutorial for using Psi4's SADGuess class

Pull Request - State: open - Opened by schiebermc about 7 years ago - 7 comments

#35 - Add Ewald and PME tutorial

Pull Request - State: closed - Opened by andysim about 7 years ago - 18 comments

#35 - Add Ewald and PME tutorial

Pull Request - State: closed - Opened by andysim about 7 years ago - 18 comments

#34 - New logos

Pull Request - State: closed - Opened by loriab about 7 years ago - 7 comments

#34 - New logos

Pull Request - State: closed - Opened by loriab about 7 years ago - 7 comments

#33 - few typos

Pull Request - State: closed - Opened by loriab about 7 years ago

#33 - few typos

Pull Request - State: closed - Opened by loriab about 7 years ago

#32 - Typo in Wfn.doccpi

Pull Request - State: closed - Opened by loriab about 7 years ago - 1 comment

#32 - Typo in Wfn.doccpi

Pull Request - State: closed - Opened by loriab about 7 years ago - 1 comment

#31 - Fixes GRAC for Psi4 1.1+

Pull Request - State: closed - Opened by dgasmith about 7 years ago

#31 - Fixes GRAC for Psi4 1.1+

Pull Request - State: closed - Opened by dgasmith about 7 years ago

#30 - Pytest

Pull Request - State: closed - Opened by loriab about 7 years ago - 5 comments

#30 - Pytest

Pull Request - State: closed - Opened by loriab about 7 years ago - 5 comments

#29 - Add an SCF/EFP reference implementation.

Pull Request - State: closed - Opened by loriab about 7 years ago - 3 comments

#29 - Add an SCF/EFP reference implementation.

Pull Request - State: closed - Opened by loriab about 7 years ago - 3 comments

#28 - SCF first hyperpolarizabilities

Pull Request - State: closed - Opened by berquist about 7 years ago - 18 comments

#28 - SCF first hyperpolarizabilities

Pull Request - State: closed - Opened by berquist about 7 years ago - 18 comments

#27 - Added clarification for Integrals Jupyter Notebook

Pull Request - State: closed - Opened by bzhang25 about 7 years ago

#27 - Added clarification for Integrals Jupyter Notebook

Pull Request - State: closed - Opened by bzhang25 about 7 years ago

#26 - Tutorials for CEPA0, CCD, CIS, OMP2, and integrals

Pull Request - State: closed - Opened by bzhang25 over 7 years ago

#26 - Tutorials for CEPA0, CCD, CIS, OMP2, and integrals

Pull Request - State: closed - Opened by bzhang25 over 7 years ago

#25 - Added a SAPT0(ROHF) example.

Pull Request - State: closed - Opened by konpat over 7 years ago - 3 comments

#25 - Added a SAPT0(ROHF) example.

Pull Request - State: closed - Opened by konpat over 7 years ago - 3 comments

#24 - Add SAPT0 and SAPT0-AO tutorials.

Pull Request - State: closed - Opened by konpat over 7 years ago - 1 comment

#24 - Add SAPT0 and SAPT0-AO tutorials.

Pull Request - State: closed - Opened by konpat over 7 years ago - 1 comment

#23 - slight clarification

Pull Request - State: closed - Opened by loriab over 7 years ago

#23 - slight clarification

Pull Request - State: closed - Opened by loriab over 7 years ago

#22 - Update installation instructions

Pull Request - State: closed - Opened by loriab over 7 years ago - 2 comments

#22 - Update installation instructions

Pull Request - State: closed - Opened by loriab over 7 years ago - 2 comments

#21 - STY: Update print in helper_CC to py3 compatibility

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 1 comment

#21 - STY: Update print in helper_CC to py3 compatibility

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 1 comment

#20 - Travis CI Testing

Pull Request - State: closed - Opened by dgasmith over 7 years ago - 1 comment

#20 - Travis CI Testing

Pull Request - State: closed - Opened by dgasmith over 7 years ago - 1 comment

#19 - Psi4NumPy contributor guidelines & license update

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 2 comments

#19 - Psi4NumPy contributor guidelines & license update

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 2 comments

#18 - Continuous Integration & testing for PRs

Issue - State: closed - Opened by dsirianni over 7 years ago - 3 comments

#18 - Continuous Integration & testing for PRs

Issue - State: closed - Opened by dsirianni over 7 years ago - 3 comments

#17 - Adding Configuration Interaction projects

Pull Request - State: closed - Opened by tyzhang1993 over 7 years ago - 17 comments

#17 - Adding Configuration Interaction projects

Pull Request - State: closed - Opened by tyzhang1993 over 7 years ago - 17 comments

#16 - EOM-CCSD

Pull Request - State: closed - Opened by amjames over 7 years ago - 18 comments

#16 - EOM-CCSD

Pull Request - State: closed - Opened by amjames over 7 years ago - 18 comments

#15 - Spin adapted CCSD helper functions for linear response function

Pull Request - State: closed - Opened by ashutoshvt over 7 years ago - 4 comments

#15 - Spin adapted CCSD helper functions for linear response function

Pull Request - State: closed - Opened by ashutoshvt over 7 years ago - 4 comments

#14 - MD Verlet Integrator first commit

Pull Request - State: closed - Opened by LACunha over 7 years ago - 1 comment

#14 - MD Verlet Integrator first commit

Pull Request - State: closed - Opened by LACunha over 7 years ago - 1 comment

#13 - Time-dependent CCSD first commit

Pull Request - State: closed - Opened by dnascimento13 over 7 years ago - 2 comments

#13 - Time-dependent CCSD first commit

Pull Request - State: closed - Opened by dnascimento13 over 7 years ago - 2 comments

#12 - Add CP-SCF tutorial

Pull Request - State: closed - Opened by mhlechner over 7 years ago - 3 comments

#12 - Add CP-SCF tutorial

Pull Request - State: closed - Opened by mhlechner over 7 years ago - 3 comments

#11 - Broken links in main README

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 1 comment

#11 - Broken links in main README

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 1 comment

#10 - Conda installation instructions

Issue - State: closed - Opened by dgasmith over 7 years ago

#10 - Conda installation instructions

Issue - State: closed - Opened by dgasmith over 7 years ago

#9 - Reference Implementation Citations

Issue - State: closed - Opened by dgasmith over 7 years ago - 10 comments

#9 - Reference Implementation Citations

Issue - State: closed - Opened by dgasmith over 7 years ago - 10 comments

#8 - Update to new `set_memory()` API

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 4 comments

#7 - Update memory setting

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 1 comment

#6 - Unification

Pull Request - State: closed - Opened by loriab over 7 years ago

#5 - Tutorials maintenance

Pull Request - State: closed - Opened by dsirianni over 7 years ago - 1 comment

#4 - README maintenance

Pull Request - State: closed - Opened by dsirianni over 7 years ago

#3 - Edits to clean up tutorials in Psi4NumPy-Basics module.

Pull Request - State: closed - Opened by dsirianni over 7 years ago

#2 - Update README.md

Pull Request - State: closed - Opened by CDSherrill over 7 years ago - 1 comment

#1 - not optimal use of einsum

Issue - State: closed - Opened by Konjkov about 10 years ago - 2 comments