Skip to content

Navigation Menu

Appearance settings

View all features
- 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
- 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
- COMMUNITY
  GitHub SponsorsFund open source developers
- PROGRAMS
  Security Lab
  Maintainer Community
  Accelerator
  GitHub Stars
  Archive Program
- REPOSITORIES
  Topics
  Trending
  Collections
- ENTERPRISE SOLUTIONS
  Enterprise platformAI-powered developer platform
- AVAILABLE ADD-ONS
  GitHub Advanced SecurityEnterprise-grade security features
  Copilot for BusinessEnterprise-grade AI features
  Premium SupportEnterprise-grade 24/7 support
Pricing

Search code, repositories, users, issues, pull requests...

Search

Clear

Search syntax tips

Provide feedback

We read every piece of feedback, and take your input very seriously.

Include my email address so I can be contacted

Saved searches

Use saved searches to filter your results more quickly

Name

Query

To see all available qualifiers, see our documentation.

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

ddmms / ml-peg Public

Notifications You must be signed in to change notification settings
Fork 42
Star 34

Code
Issues 115
Pull requests 41
Discussions
Actions
Projects
Security and quality
Insights

Additional navigation options

Code
Issues
Pull requests
Discussions
Actions
Projects
Security and quality
Insights

Adding benchmarks for iron #345

Open

ttompa wants to merge 21 commits intoddmms:mainddmms/ml-peg:mainfrom

ttompa:iron_benchmarksttompa/ml-peg:iron_benchmarksCopy head branch name to clipboard

Conversation Commits21 (21)Checks Files changed

Open

Adding benchmarks for iron #345
ttompa wants to merge 21 commits intoddmms:mainfrom
ttompa:iron_benchmarks

Commits

Commits on Jan 30, 2026

add iron benchmarks
ttompa
committed
fixes for cracks and discloations cell sizes
ttompa
committed
fix notation
ttompa
committed

Commits on Feb 2, 2026

remove crack and dislocation tests as they use too many atoms for most models
ttompa
committed
add T-S test for iron
ttompa
committed

Commits on Feb 4, 2026

adjustments to match LAMMPS implementation more closely
ttompa
committed
code cleanup
ttompa
committed
code cleanup
ttompa
committed
Merge branch 'ddmms:main' into iron_benchmarks
ttompa
authored
adjustments, code cleanup
ttompa
committed
move utils file for iron
ttompa
committed

Commits on Feb 5, 2026

save DFT values into analysis file to simplify things
ttompa
committed
add docs for iron benchmark
ttompa
committed

Commits on Apr 14, 2026

Merge branch 'ddmms:main' into iron_benchmarks
ttompa
authored
move iron benchmarks docs
ttompa
committed
set dtype to float64
ttompa
committed
addressing comments
ttompa
committed
one line cleanup
ttompa
committed
move iron benchmarks to bulk_crystal
ttompa
committed

Commits on Apr 18, 2026

fix pre-commit checks
ttompa
committed
fix pre-commit checks
ttompa
committed

Footer

© 2026 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Community
Docs
Contact

You can’t perform that action at this time.