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Releases: sunqm/libcint

Libcint 4.1.2

11 Apr 07:30
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  • Fix a bug due to significant digits of float128 in the core Fmt integrals

Libcint 4.1.1

21 Mar 23:39
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Fix bug in Boys function evaluation kernel of short-range Coulomb integrals

Libcint 4.1.0

17 Feb 01:34
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  • Add new Rys roots and weights algorithm
  • Improve integral accuracy for high angular momentum basis
  • Improve integral accuracy for short-range Coulomb integrals
  • Add supports of 2-e integrals up to l=15

Libcint 4.0.7

17 Dec 23:36
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  • Fix bug in rys_roots when R_dsmit fails to find all roots

Libcint 4.0.6

13 Nov 23:11
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  • Fix return value bug in rysroots

Libcint 4.0.5

30 Oct 16:39
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  • Fix prescreening bug in int3c2e

Libcint 4.0.4

29 Oct 08:27
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  • Fix cache size bug in int3c1e

Libcint 4.0.3

27 Oct 20:46
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  • Fix memory allocation bug in int3c1e
  • Improve macro MALLOC_INSTACK

Libcint 4.0.2

05 Oct 00:46
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  • Fix function typedef bug in include/cint_funcs.h

Libcint 4.0.1

03 Oct 00:22
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Update cmake configs and docs