Comments (1)
libcint does not use any blas functions. You will not get any performance improvements by changing blas libraries. Integrals on GPU will only be available in the project https://github.com/pyscf/gpu4pyscf
from libcint.
Related Issues (20)
- Primitive integrals/contraction coefficients HOT 2
- Printing Libcint version HOT 1
- different 1e-int between pyscf and libcint with comp > 1 HOT 2
- Make test HOT 2
- 6.0.0: test suite is fau=iling HOT 2
- 6.1.2 didn't bump the shared library name HOT 1
- Remove integrals from final build HOT 1
- N-e integrals HOT 2
- Angular momentum integral HOT 2
- Is there a way to get integrals by basis functions? HOT 3
- Normalized (cartesian) overlap integrals HOT 4
- Building fill_int2c HOT 1
- calculations with k-functions HOT 1
- SIGSEGV (Segmentation fault) with high angular momentum (large zeta) basis sets HOT 4
- Calling 4c1e integrals HOT 2
- Calling 4c1e integrals - segfault/double free HOT 1
- Sorting of p-orbitals (`-DPYPZPX` flag) HOT 2
- Segmentation fault when calling function 3c2e_ip1 and 3c2e_ip2 HOT 2
- Support for Python 3.12 HOT 1
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from libcint.