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Releases: npe1011/grrm2xtb_cpp

v1.2.0, several behavior changes

31 May 06:51
f0d46b0

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In this version, multi/charge behavior has been changed (mainly for gxtb calc.).
When calling Hessian, tight scc is automatically used to avoid numerical errors in gxtb.

v1.1.0 gxtb support

24 Apr 04:35
7798819

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gxtb support

static link binary

15 Oct 06:52
fec6f44

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v1.0.0

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