qccompute
A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.
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Activity
- Latest release
- 6d ago
- Total releases
- 14
- Cadence
- ~daily
- Last 12 months
- 14
Reach
- Stars
- 6
Details
- License
- custom
- First release
- Mar 26, 2026
Releases
| Version | Released | |
|---|---|---|
0.22.0
minor
| ||
0.21.0
minor
| ||
0.20.0
minor
| ||
0.19.0
minor
| ||
0.18.0
minor
| ||
0.17.0
minor
| ||
0.16.1
patch
| ||
0.16.0
minor
| ||
0.15.0
minor
| ||
0.14.0
minor
| ||
0.13.3
patch
| ||
0.13.2
patch
| ||
0.13.1
patch
| ||
0.13.0
initial
|