Comments (1)
It exists in MetaGG function evaluations, check: https://github.com/theochem/gbasis/blob/master/gbasis/test/test_fns.py#L824
Thanks @tovrstra.
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Related Issues (20)
- API improvement: different integral backends HOT 2
- Switch to setuptools and pkg_resources HOT 1
- Data for tests can be simplified
- ./setup build error HOT 3
- Deploy fails HOT 3
- libint2 should be list as a dependence HOT 2
- gcc 4.8 too old HOT 5
- Float issue when using compute_nuclear_attraction HOT 2
- Travis builds ignore MYPYVERSION? HOT 5
- Travis packs the cache every time a release is made.
- Building gbasis Fails HOT 4
- Split GOBasis into 4 objects? HOT 1
- Rewrite Unit tests in C++
- Only use C++ for interfacing with Libint HOT 3
- Add property access by index, not just by shell
- Access integral by shell, index HOT 1
- Rename to cgbasis
- Discard everything except evaluation of functions on grids.
- Simplify loop structure for computing properties on grids
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