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Releases: sunqm/libcint

Libcint 5.1.9

31 Jan 22:34
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  • Fix bug in approx_log bug for non-x86 architecture

Libcint 5.1.8

04 Jan 00:26
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  • Fix integer overflow error in CINTOpt initialization

Libcint 5.1.7

06 Dec 22:43
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Add boundary check for CINTOpt

Libcint 5.1.6

27 Aug 06:47
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  • Add 4-center 1-electron integral int4c1e

Libcint 5.1.5

24 Aug 18:58
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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 22:25
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  • Add the missing cart2sph function for l=15

Libcint 5.1.2

04 May 00:07
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  • Fix cint3c1e_cart integral (issue #67)
  • 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 21:48
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  • Fix integer overflow in gto_norm

Libcint 5.1.0

25 Dec 03:14
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  • Update cint.h to make CINTEnvVars closed to the definition in qcint

Libcint 5.0.0

07 Nov 15:41
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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