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Pull requests: zincware/IPSuite

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Pull requests list

Safe sampling 🎉 new node Add a new and exciting node to IPSuite
#389 opened Feb 17, 2025 by M-R-Schaefer Loading…
9
Add new InterIntraMD Calculator to IPSuite 🎉 new node Add a new and exciting node to IPSuite
#388 opened Feb 16, 2025 by MrJulEnergy • Draft
1
make forces optional
#383 opened Jan 16, 2025 by MrJulEnergy • Draft
1
Add GPAW support
#345 opened Nov 25, 2024 by lkkmpn Loading…
Add a Bond Length Constraint Node
#294 opened May 6, 2024 by MrJulEnergy • Draft
4
use ipsuite-core wontfix This will not be worked on
#275 opened Apr 18, 2024 by PythonFZ • Draft
Updates to the IPSuite Docs
#272 opened Apr 18, 2024 by MrJulEnergy • Draft
Data id in atoms
#269 opened Apr 18, 2024 by PythonFZ Loading…
return ax from scatter for external usage wontfix This will not be worked on
#253 opened Jan 4, 2024 by PythonFZ Loading…
3
More generic configuration filter
#244 opened Dec 11, 2023 by Tetracarbonylnickel Loading…
4
add normalize parameter
#239 opened Nov 27, 2023 by PythonFZ • Draft
[pre-commit.ci] pre-commit autoupdate
#227 opened Nov 6, 2023 by pre-commit-ci bot Loading…
1
Add torchani models (prebuild only)
#163 opened Jul 31, 2023 by PythonFZ Loading…
1
Bump cryptography from 40.0.2 to 41.0.0 dependencies Pull requests that update a dependency file
#122 opened Jun 2, 2023 by dependabot bot Loading…
Bump tornado from 6.3.1 to 6.3.2 dependencies Pull requests that update a dependency file
#115 opened May 25, 2023 by dependabot bot Loading…
MMK Memory [WIP]
#114 opened May 25, 2023 by SamTov Loading…
1 task
Bump requests from 2.28.2 to 2.31.0 dependencies Pull requests that update a dependency file
#113 opened May 23, 2023 by dependabot bot Loading…
add MultiXYPlot
#66 opened Apr 11, 2023 by PythonFZ Loading…
2
Testing module
#6 opened Mar 17, 2023 by PythonFZ • Draft
Add Workflow Node
#3 opened Mar 15, 2023 by PythonFZ Loading…
ProTip! What’s not been updated in a month: updated:<2025-01-20.