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
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 }}
Uh oh!
There was an error while loading.
Please reload this page
.
pyscf
/
gpu4pyscf
Public
Notifications
You must be signed in to change notification settings
Fork
76
Star
341
Code
Issues
77
Pull requests
12
Actions
Projects
Security and quality
0
Insights
Additional navigation options
Code
Issues
Pull requests
Actions
Projects
Security and quality
Insights
Add GPU density-fitted CASCI and diagonal-Hessian CASSCF
- #869
#869
Open
wtpeter
wants to merge 4 commits into
pyscf:master
pyscf/gpu4pyscf:master
from
wtpeter:feat/df-casscf
wtpeter/gpu4pyscf:feat/df-casscf
Copy head branch name to clipboard
Conversation
Commits
4
(4)
Checks
Files changed
Open
Add GPU density-fitted CASCI and diagonal-Hessian CASSCF
#869
wtpeter
wants to merge 4 commits into
pyscf:master
pyscf/gpu4pyscf:master
from
wtpeter:feat/df-casscf
wtpeter/gpu4pyscf:feat/df-casscf
Copy head branch name to clipboard
Commits
Commits on Aug 24, 2026
Add GPU direct spin1 FCI solver
wtpeter
committed
2fe5781
View commit details
Copy full SHA for 2fe5781
Browse repository at this point
Add GPU DF AO2MO and DF-CASCI
wtpeter
committed
a14854d
View commit details
Copy full SHA for a14854d
Browse repository at this point
Add GPU diagonal-Hessian DF-CASSCF
wtpeter
committed
da051b7
View commit details
Copy full SHA for da051b7
Browse repository at this point
Compare CPU and GPU DF-CASSCF example
wtpeter
committed
c5b5354
View commit details
Copy full SHA for c5b5354
Browse repository at this point
You can’t perform that action at this time.
