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Pull requests: tblite/tblite

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Pull requests list

Add support for HDF5 reading and writing
#336 opened May 17, 2026 by awvwgk Member Loading…
1
Molden file
#333 opened May 12, 2026 by thfroitzheim Contributor Loading…
1
7
Compressed restart from Mulliken shell charges and atomic multipoles (C/Python API, spin support, tests)
#291 opened Sep 1, 2025 by MauriceDHanisch Contributor Loading…
@pitsteinbach
14
update tutorial for the geometry optimization documentation Improvements or additions to documentation
#269 opened May 23, 2025 by V-Alizade Contributor Loading…
1
Density Matrix Purification Solvers with optional GPU acceleration enhancement New feature or request
#240 opened Mar 25, 2025 by pitsteinbach Contributor Loading…
3 tasks done
v0.7.0
11
Implementation of the ddX continuum solvation library enhancement New feature or request
#235 opened Mar 12, 2025 by robin-dahl Contributor Loading… v0.7.0
107
Enable ILP64 support
#65 opened Jun 15, 2022 by dmejiar Contributor Loading…
2
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