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Releases: sunqm/qcint

Libcint 4.0.3

08 Oct 00:05
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  • Bugfix
    • uninitialized buffers for short-range Coulomb integrals

Libcint 4.0.2

05 Oct 00:47
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  • Fix function typedef bug in include/cint_funcs.h

Libcint 4.0.1

03 Oct 00:23
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Fix compiling errors for AVX and SSE3 instructions

Libcint 3.1.1

26 Aug 01:53
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  • Add p orbital convention (py, pz, px)

Libcint 3.0.20

14 May 06:51
d2759ec
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A placeholder for 3.0.20 release. The same to qcint release 3.0.19

Libcint 3.0.19

01 Dec 06:18
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Support fractional nuclear charges

Libcint 3.0.18

03 Jul 00:55
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  • Fix undefined varialbe in nabla-rinv integral
  • Add integral < i | nabla-rinv | j >

Libcint 3.0.17

14 Jun 07:33
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  • 2nd order derivatives for 3c2e integral
  • 3c2e and 2c2e integrals for Gaussian type geminals

Libcint 3.0.15

19 Mar 05:46
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  • F12 second derivatives
  • Add integrals for Gaussian type geminals
  • Add 4th order derivatives of 2e integrals

Libcint 3.0.14

23 Nov 09:16
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Add F12 integral derivatives

Bugfix for int3c1e_rinv type integrals