Skip to content
Navigation Menu
Sign in
Appearance settings
Platform
AI CODE CREATION
GitHub Copilot
Write better code with AI
GitHub Copilot app
Direct agents from issue to merge
MCP Registry
Integrate external tools
DEVELOPER WORKFLOWS
Actions
Automate any workflow
Codespaces
Instant dev environments
Issues
Plan and track work
Code Review
Manage code changes
Code Quality
Enforce quality at merge
APPLICATION SECURITY
GitHub Advanced Security
Find and fix vulnerabilities
Code security
Secure your code as you build
Secret protection
Stop leaks before they start
EXPLORE
Why GitHub
Documentation
Blog
Changelog
Marketplace
View all features
Solutions
BY COMPANY SIZE
Enterprises
Small and medium teams
Startups
Nonprofits
BY USE CASE
App Modernization
DevSecOps
DevOps
CI/CD
View all use cases
BY INDUSTRY
Healthcare
Financial services
Manufacturing
Government
View all industries
View all solutions
Resources
EXPLORE BY TOPIC
AI
Software Development
DevOps
Security
View all topics
EXPLORE BY TYPE
Customer stories
Events & webinars
Ebooks & reports
Business insights
GitHub Skills
SUPPORT & SERVICES
Documentation
Customer support
Community forum
Trust center
Partners
View all resources
Open Source
COMMUNITY
GitHub Sponsors
Fund open source developers
PROGRAMS
Security Lab
Maintainer Community
Accelerator
GitHub Stars
Archive Program
REPOSITORIES
Topics
Trending
Collections
Enterprise
ENTERPRISE SOLUTIONS
Enterprise platform
AI-powered developer platform
AVAILABLE ADD-ONS
GitHub Advanced Security
Enterprise-grade security features
Copilot for Business
Enterprise-grade AI features
Premium Support
Enterprise-grade 24/7 support
Pricing
Type
/
to search
Sign in
Sign up
Appearance settings
You signed in with another tab or window.
Reload
to refresh your session.
You signed out in another tab or window.
Reload
to refresh your session.
You switched accounts on another tab or window.
Reload
to refresh your session.
Dismiss alert
{{ message }}
nominhanggai
/
psi4
Public
forked from
psi4/psi4
Notifications
You must be signed in to change notification settings
Fork
0
Star
0
Code
Pull requests
0
Actions
Projects
Wiki
Security and quality
0
Insights
Additional navigation options
Code
Pull requests
Actions
Projects
Wiki
Security and quality
Insights
Commits
Breadcrumbs
History for
psi4
doc
on
master
User selector
All users
All time
Commit history
Commits on Jan 6, 2018
information about min memory and overriding it
TiborGY
authored
6acc6d5
View commit details
Copy full SHA for 6acc6d5
View code at this point
Browse repository at this point
it is actually 500 MiB
TiborGY
authored
3052d21
View commit details
Copy full SHA for 3052d21
View code at this point
Browse repository at this point
afterthought
TiborGY
authored
18e5ec4
View commit details
Copy full SHA for 18e5ec4
View code at this point
Browse repository at this point
add note about kB/KiB
TiborGY
authored
78bfa52
View commit details
Copy full SHA for 78bfa52
View code at this point
Browse repository at this point
Update default memory, correct capitalization
TiborGY
authored
58b6a69
View commit details
Copy full SHA for 58b6a69
View code at this point
Browse repository at this point
Commits on Dec 18, 2017
Get snsmp2 docs building
loriab
committed
bb1300c
View commit details
Copy full SHA for bb1300c
View code at this point
Browse repository at this point
DOC: explains building psi with local/dev addon lib
loriab
committed
f599c70
View commit details
Copy full SHA for f599c70
View code at this point
Browse repository at this point
Commits on Dec 15, 2017
Tweak tight IRC test case, test documentation.
JonathonMisiewicz
committed
9bde136
View commit details
Copy full SHA for 9bde136
View code at this point
Browse repository at this point
Documentation for adding test cases.
JonathonMisiewicz
committed
92da2d4
View commit details
Copy full SHA for 92da2d4
View code at this point
Browse repository at this point
Commits on Dec 7, 2017
Add mpmath to travis. Update req dep docs.
loriab
authored and
dgasmith
committed
551a344
View commit details
Copy full SHA for 551a344
View code at this point
Browse repository at this point
Commits on Nov 26, 2017
Merge pull request #864 from fevangelista/cubeprop_updates
Show description for d9625a2
robertodr
authored
d9625a2
View commit details
Copy full SHA for d9625a2
View code at this point
Browse repository at this point
Commits on Nov 23, 2017
Merge pull request #850 from shannonhouck/master
Show description for f821e4a
dgasmith
authored
f821e4a
View commit details
Copy full SHA for f821e4a
View code at this point
Browse repository at this point
Commits on Nov 21, 2017
Mention new feature in manual.
fevangelista
committed
7485068
View commit details
Copy full SHA for 7485068
View code at this point
Browse repository at this point
Commits on Nov 17, 2017
Merge pull request #857 from bgpeyton/rotvar
Show description for 42d8997
amjames
authored
42d8997
View commit details
Copy full SHA for 42d8997
View code at this point
Browse repository at this point
Merge pull request #856 from loriab/insist
Show description for 0d1f876
dgasmith
authored
0d1f876
View commit details
Copy full SHA for 0d1f876
View code at this point
Browse repository at this point
Commits on Nov 15, 2017
Updated SNS-MP2 licensing info
shannonhouck
authored
24a0e83
View commit details
Copy full SHA for 24a0e83
View code at this point
Browse repository at this point
Updated SNS-MP2 docs to reflect licensing
shannonhouck
authored
0800118
View commit details
Copy full SHA for 0800118
View code at this point
Browse repository at this point
Migrate some existing wiki docs into sphinxman (#848)
Show description for d0bd6a0
loriab
authored and
andysim
committed
d0bd6a0
View commit details
Copy full SHA for d0bd6a0
View code at this point
Browse repository at this point
Commits on Nov 14, 2017
Adding glossary entries and autodoc-er comments
bgpeyton
committed
5ac1e78
View commit details
Copy full SHA for 5ac1e78
View code at this point
Browse repository at this point
Commits on Nov 13, 2017
Allow user to fail CMake config if pkg not externally detected, references psi4/psi4#854
loriab
committed
c0a6559
View commit details
Copy full SHA for c0a6559
View code at this point
Browse repository at this point
Commits on Nov 11, 2017
Updating documentation
Show description for eeb7bd8
shannonhouck
authored
eeb7bd8
View commit details
Copy full SHA for eeb7bd8
View code at this point
Browse repository at this point
Commits on Nov 10, 2017
Updates Libint 1.2.0 @ evaleev/libint <-- libint 1.1.6 @ psi4/libint
loriab
authored and
CDSherrill
committed
1da427e
View commit details
Copy full SHA for 1da427e
View code at this point
Browse repository at this point
Update plugin_snsmp2.rst
Show description for 2d7f16f
shannonhouck
authored
2d7f16f
View commit details
Copy full SHA for 2d7f16f
View code at this point
Browse repository at this point
Commits on Nov 9, 2017
Fixed formatting on last line of sns-mp2 doc
Shannon Houck
committed
c134037
View commit details
Copy full SHA for c134037
View code at this point
Browse repository at this point
Fixed a minor error in the sns-mp2 doc
Shannon Houck
committed
04fd93d
View commit details
Copy full SHA for 04fd93d
View code at this point
Browse repository at this point
Still messing around with the sns-mp2 docs!
Shannon Houck
committed
ad557f8
View commit details
Copy full SHA for ad557f8
View code at this point
Browse repository at this point
Fixed a few small errors in the sns-mp2 docs
Shannon Houck
committed
dca40b4
View commit details
Copy full SHA for dca40b4
View code at this point
Browse repository at this point
Added SNS-MP2 plugin and documentation.
Shannon Houck
committed
d8d9931
View commit details
Copy full SHA for d8d9931
View code at this point
Browse repository at this point
Commits on Nov 4, 2017
Fix advanced SAPT example
Show description for 039ba9f
rdcunha
authored
039ba9f
View commit details
Copy full SHA for 039ba9f
View code at this point
Browse repository at this point
Commits on Oct 25, 2017
Update dft.rst
fevangelista
authored
d1d6bd9
View commit details
Copy full SHA for d1d6bd9
View code at this point
Browse repository at this point
Commits on Oct 10, 2017
Update pcmsolver.rst
Show description for 13e447a
robertodr
authored
13e447a
View commit details
Copy full SHA for 13e447a
View code at this point
Browse repository at this point
Commits on Sep 28, 2017
Merge pull request #805 from adabbott/new_dft_docs
Show description for 34d8434
dgasmith
authored
34d8434
View commit details
Copy full SHA for 34d8434
View code at this point
Browse repository at this point
Merge pull request #799 from dgasmith/dft_logic
Show description for fdac378
robertodr
authored
fdac378
View commit details
Copy full SHA for fdac378
View code at this point
Browse repository at this point
Commits on Sep 27, 2017
Merge pull request #797 from bozkaya/master
Show description for 21caae8
jturney
authored
21caae8
View commit details
Copy full SHA for 21caae8
View code at this point
Browse repository at this point
Commits on Sep 25, 2017
Minor rewording, added note about behavior of psivars with weird computations
adabbott
committed
9cec2eb
View commit details
Copy full SHA for 9cec2eb
View code at this point
Browse repository at this point
Previous
Next
You can’t perform that action at this time.