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Libcint 4.0.0
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@sunqm sunqm released this 27 Sep 08:34
· 168 commits to master since this release
v4.0.0
7ed4d64
  • API Change. PTR_LIGHT_SPEED is replaced with PTR_EXPCUTOFF. Integral screening parameter can be passed through env[PTR_EXPCUTOFF]
  • Add short-range integrals for range-separation
  • Handle linear dependency in Rys polynomial
  • Avoid calling exit function (issue #41)
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