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Releases: sunqm/qcint

Libcint 4.4.3

22 Jul 21:16
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  • Fix divide-by-0 bug
  • Improve performance of quadruple precision rys-roots function

Libcint 4.4.2

09 Jul 01:00
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  • Improve short-range ERI Rys-roots accuracy

Libcint 4.4.1

04 Jun 17:12
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  • Fix bugs in int1e_grids for attenuated Coulomb operators
  • Fix undefined symbols when compiling without flag WITH_RANGE_COULOMB

Libcint 4.4.0

24 May 20:30
f53e5cf
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  • Add new integral type int1e_grids
  • Fix cache size type
  • Refactor cart2sph
  • Code now compiles with -march=native by default

Libcint 4.1.3

13 Apr 22:16
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  • Fix memory address int32 overflow for heavily contracted basis (e.g. 4th order derivatives of [6f] basis)

Libcint 4.1.2

11 Apr 07:38
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  • Fix a bug due to significant digits of float128 in the core Fmt integrals

Libcint 4.1.0

04 Apr 22:49
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Libcint 4.1.0 Pre-release
Pre-release
  • 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 4.0.6

17 Dec 22:22
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  • Fix bug in rys_roots when R_dsmit fails to find all roots

Libcint 4.0.5

14 Nov 00:30
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  • Fix bug in stack memory allocation macro

Libcint 4.0.4

06 Nov 22:41
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  • Fix bugs in cint2c2e short-range Coulomb integrals