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general GTO integrals for quantum chemistry
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Last push
23d ago
Recent commits
Latest commits.
Merge pull request #1 from maxscheurer/feature/issue-2-int3c1e-second-derivatives
56e784d
Maximilian Scheurer
23d ago
Improve int3c1e hessian tests: high-l basis, ctypes tests, docs
1796016
Maximilian Scheurer
23d ago
Add int3c1e second-derivative integrals (ipip1, ip1ip2, ipvip1, ipip2)
637c01e
Maximilian Scheurer
23d ago
chore: open PR for int3c1e second-derivative integrals
04ef48d
Maximilian Scheurer
23d ago
typo
b942ac8
Qiming Sun
7mo ago
Release v6.1.3
c72d306
Qiming Sun
10mo ago
Add tests for sr_int2e
e2a968b
Qiming Sun
10mo ago
Approximate quadrature roots when roots-finding is not converged
2b2d7e2
Qiming Sun
10mo ago
Top contributors
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sunqm
446 commits
jeffhammond
10 commits
juanjoaucar
5 commits
maxscheurer
4 commits
mfherbst
4 commits
gruenich
3 commits
peterspackman
3 commits
fishjojo
3 commits