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Releases: briling/qm

v2.1

12 Jan 17:48

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More stable version.

v2.0

20 Oct 09:32

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Energy gradient.

v1.1

03 Aug 20:30

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  • print CLI option
  • energy in a uniform electric field
  • DIIS
  • faster diagonalization
  • get rid of singularities in calculation of rotation matrices A
  • change SCF convergence criterion
  • RHF
    ...
  • h-index 1

v1.0

16 Oct 15:01

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The article has been published!

v0.1

05 Oct 22:03

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1 `return` added