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Release 6.0.0
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sunqm committed Sep 19, 2023
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8 changes: 4 additions & 4 deletions ChangeLog
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Version 6.0.0 (2023-09-17):
* Fix memory leak issue in int4c1e
* Add polynomial root finder with eigenvalue algorithm
* Add polynomial root finder using the eigenvalue algorithm
* Fitting Rys roots of SR integrals with Chebyshev polynomials
* New integrals related to LRESC
* Remove GTG integrals which are erroneous in previous versions
* Remove coulerf integrals which has been covered by regular int2e functions

Version 5.5.0 (2023-09-17):
* Supports Gaussian charge model for int1e_grids
* Supports Gaussian model for int1e_grids

Version 5.4.0 (2023-07-04):
* Add constant PTR_FRAC_CHARGE for QM/MM interface in pyscf
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -3,7 +3,7 @@ qcint (quick libcint)

An optimized libcint branch for X86 platform

version 5.5.0
version 6.0.0
2023-09-17


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