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talks
talks PublicForked from fortran-lang/talks
Repository for talks and presentations about fortran-lang projects
TeX
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crest
crest PublicForked from crest-lab/crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
Fortran
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avogadro-container
avogadro-container PublicForked from grimme-lab/avogadro-container
Container version of avogadro1 for distros not supporting avogadro1 anymore
Dockerfile
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dftbplus
dftbplus PublicForked from dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
Fortran
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PyEnergyDiagrams
PyEnergyDiagrams PublicForked from giacomomarchioro/PyEnergyDiagrams
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Python
137 contributions in the last year
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Activity overview
Contribution activity
April 2025
Created 3 commits in 3 repositories
Opened 2 pull requests in 2 repositories
grimme-lab/xtb
1
merged
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Update stale_label.yml
This contribution was made on Apr 11
grimme-lab/qc2-teaching
1
merged
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Update MSYS setup
This contribution was made on Apr 9
Reviewed 3 pull requests in 2 repositories
grimme-lab/xtb
2 pull requests
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docs: update README.md
This contribution was made on Apr 16
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Speed-up hot path of GFN2 geometry optimization
This contribution was made on Apr 4
conda-forge/xtb-feedstock
1 pull request
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Rebuild for mctc-lib 0.4.x
This contribution was made on Apr 4