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Releases: sunqm/qcint

Libcint 5.1.7

06 Dec 22:38
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Add boundary check for CINTOpt

Libcint 5.1.5

24 Aug 19:05
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  • Add new integrals
    • int1e_r4: < i | r^4 | j >
    • int3c1e_ip1: < \nabla i j | k >

Libcint 5.1.3

15 Jun 22:26
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  • Fix cart2sph transformation bugs for int1e_grids
  • Add the missing cart2sph function for l=15

Libcint 5.1.2

04 May 00:08
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  • Add new integrals
    <i | nabla nabla r | j>
    <i | nabla r nabla | j>
    <i | nabla nabla nabla 1/r | j>
    <i | nabla nabla 1/r nabla | j>

Libcint 5.1.1

18 Jan 21:49
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  • Fix integer overflow in gto_norm

Libcint 5.1.0

25 Dec 03:16
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  • Update cint.h to make CINTEnvVars closed to the definition in libcint

Libcint 5.0.0

07 Nov 15:42
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  • Improve the cartesian-spinor basis transformation
  • Remove the dependency to BLAS library
  • Update the header file cint.h
  • Update the drivers for cint2e, cint3c2e, cint3c1e, cint2c2e

Libcint 4.4.6

28 Sep 00:46
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  • Fix uninitialized variables in rys_roots

Libcint 4.4.5

28 Aug 08:12
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  • Fix Rys-polynomial roots for SSE3 instructions

Libcint 4.4.4

12 Aug 20:08
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  • Fix Cartesian-spherical and Cartesian-spinor transformation coefficients