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Multi-collinear functional
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4
Last push
16mo ago
Recent commits
Latest commits.
change the version number from 0.2.3 to 0.2.4 for a new publishment in PyPI.
302dd89
maohaohao
21mo ago
change the eval_xc_eff_sf file to compatible with pyscf 2.6.0
47d1288
maohaohao
25mo ago
Merge pull request #8 from sunqm/serialization
500d688
Hao Li
25mo ago
Use ThreadPoolExecutor in parallel computation only4
48a518b
maohaohao
25mo ago
Test serialization
5884729
Qiming Sun
25mo ago
Modify the codes style.
c96985a
maohaohao
25mo ago
change 0.2.2 to 0.2.3 version in __init__.py.
10e5a55
maohaohao
26mo ago
Add the third order derivatives of mc functionals. add the spin flip kernel for spin flip tddft.
d65b0f4
maohaohao
28mo ago
Top contributors
Builders behind this project.
hoshishin
12 commits
sunqm
9 commits
Haskiy
4 commits
Multi-collinear
1 commits