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Commits on Apr 9, 2021

• Merge pull request #10 from mgr327/master

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  jarvist

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• Switch to using Julia's own incomplete gamma function. Delete unneeded tests.

  mgr327

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  b09c324

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Commits on Apr 7, 2021

• Fix up Julia Pkg3 files for Julia 1.6

  jarvist

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Commits on Jun 13, 2019

• Proper PKG3 files; tests OK on Julia 1.1

  jarvist

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Commits on Sep 28, 2018

• Update Travis so only 1.0 and nightly is tested.

  jarvist

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Commits on Sep 27, 2018

• Mostly working (multi-core broken?) on 1.0.

  jarvist

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Commits on Sep 3, 2018

• Ignore failing test; pin to Julia 0.6-->0.7

  jarvist

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Commits on Aug 21, 2018

• Julia 0.6 *and* 0.7 compatability. Fixes to tests.

  jarvist

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Commits on Aug 11, 2018

• @testsets everywhere; assert->test; generally more 1.0 OK.

  jarvist

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Commits on Aug 8, 2018

• To Julia 0.7. Still deprecation warnings, but tests past. WIP.

  jarvist

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Commits on May 30, 2018

• A couple more @syncs fix the parallel 1/2e ints

  jarvist

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Commits on May 29, 2018

• Sort of multiprocessor 1e+2e ints! NB: Weirdly buggy. End of day commit.

  jarvist

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Commits on Jan 22, 2018

• Fixed the LiF/H20 bug :^) Buggy ERI subroutine was being used.

  jarvist

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• Better (variational theory) values for internal tests.

  jarvist

  committed
  8eedbf8

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• BUGFIX! 2e Ints --> ERI=coulomb_hgp seems to fix references sto-3g vals.

  jarvist

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• Start sep. physical constants source file.

  jarvist

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• Commenting RHF code + alpha-mixing from Thijssen.

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Commits on Jan 15, 2018

• C60 geometry. Goes to out of memory error on my laptop! :^)

  jarvist

  committed
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• Bit of work on documenting RHF; simple energy convergence.

  jarvist

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• Added in a couple of STO-3G from Szabo & Ostlund. Still errors!

  jarvist

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Commits on Jan 9, 2018

• Allow Travis failures on nightly.

  jarvist

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• BenchmarkTools used for running the tests...

  jarvist

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Commits on Jan 8, 2018

• Found reference for the HRR / VRR

  jarvist

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Commits on Jan 6, 2018

• References for README + 2018-01-06 timing values (Asriel laptop).

  jarvist

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• RMuller's VRRSpeedtests; updated to use BenchmarkTools

  jarvist

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• Contrib AtoZ mapping; light comments; call signatures updates

  jarvist

  committed
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• Travis + CI badges.

  jarvist

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• Making it a realy Julia package; via PkgDev + copying files.

  jarvist

  committed
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• Rick Muller's code subdivided into module files.

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  jarvist

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• Initial import / fork of code from PyQuante2:

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