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Releases: sunqm/libcint

Release v6.1.2

01 Feb 01:17
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Update libcint version tag to align with the new release of qcint

Libcint 6.1.1

25 Jan 08:01
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  • Add explicit SSE3 instructions for int2e

Libcint 6.1.0

11 Nov 02:48
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Add new integral int1e_grids_ipip

Libcint 6.0.0

28 Sep 05:48
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  • Add polynomial root finder using the eigenvalue algorithm
  • Fitting Rys roots of SR integrals with Chebyshev polynomials
  • Remove GTG integrals which are erroneous in previous versions
  • Remove coulerf integrals which has been covered by regular int2e functions

Libcint 5.5.0

17 Sep 20:52
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  • Fix memory leak issue in int4c1e
  • New integrals related to LRESC
  • Supports Gaussian charge model for int1e_grids

Libcint 5.4.0

04 Jul 15:46
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Add constant PTR_FRAC_CHARGE for QM/MM interface in PySCF

Libcint 5.3.0

29 Mar 00:25
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  • Improves rys-roots numerical stability in the near-zero limit

Libcint 5.2.2

22 Mar 21:13
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  • Improves rys-roots finder accuracy
  • Filters some warning messages in rys-roots function

Libcint 5.2.1

15 Feb 23:13
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  • Improve error handling for SR-ERI integrals

Libcint 5.2.0

31 Jan 22:37
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  • Optimize short-range ERI integral screening