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Releases: sunqm/libcint

Libcint 4.4.6

28 Sep 00:43
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  • Fix uninitialized variables in rys_roots

Libcint 4.4.5

28 Aug 08:25
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A tag to match qcint version 4.4.5. This version is the same to release v4.4.4

Libcint 4.4.4

12 Aug 20:07
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  • Fix Cartesian-spherical and Cartesian-spinor transformation coefficients

Libcint 4.4.3

22 Jul 21:15
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  • Fix divide-by-0 bug
  • Improve performance of quadruple precision rys-roots function

Libcint 4.4.2

09 Jul 00:59
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  • Improve short-range ERI Rys-roots accuracy

Libcint 4.4.1

04 Jun 17:13
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  • Fix bugs in int1e_grids for attenuated Coulomb operators

Libcint 4.4.0

04 May 09:43
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  • Add new integral type int1e_grids
  • Fix cache size type
  • Fix bugs in c2s transfomration for int1e_grids
  • Fix bugs int1e_grids code generator
  • Refactor cart2sph
  • Refactor int1e drivers

Libcint 4.3.0

25 Apr 07:46
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Libcint 4.3.0 Pre-release
Pre-release
  • Add new integrals int1e_grids for operators 1/r_g (r_g is a list of grids)
  • Fix integer overflow in cache_size for high order derivatives of high angular momentum basis

Libcint 4.2.0

15 Apr 18:48
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Libcint 4.2.0 Pre-release
Pre-release
  • Change for all integral functions the return type from int to size_t

Libcint 4.1.3

13 Apr 21:47
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  • Fix memory address int32 overflow for heavily contracted basis (e.g. 4th order derivatives of [6f] basis)