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Commits on May 20, 2019

• SMITH update to implement non-blocking version, but it actually makes it slower.

  shiozaki

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  52355d1

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• Some fixes

  shiozaki

  committed
  4d092cc

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• Merge branch 'master' of github.com:nubakery/smith3

  shiozaki

  committed
  d83a68c

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• recent changes

  shiozaki

  committed
  27883a9

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• minor

  shiozaki

  committed
  56c6021

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Commits on Feb 8, 2018

• Merge pull request #6 from jwpk1201/master

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  shiozaki

  authored
  76e9cb4

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• Merge pull request #2 from jwpk1201/ci

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  jwpk1201

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  886710b

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• oops

  jwpk1201

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  72e0ef0

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Commits on Feb 2, 2018

• Merge pull request #1 from jwpk1201/ci

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  jwpk1201

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  6e11814

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• remove cindex

  jwpk1201

  committed
  2128d8d

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Commits on Jan 3, 2018

• to reproduce RelCASPT2 codes in BAGEL

  jwpk1201

  committed
  9c4f64b

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Commits on Dec 31, 2017

• now doing things with rdm3f when merged (CASPT2 energy case)

  jwpk1201

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Commits on Sep 19, 2017

• Merge pull request #5 from jwpk1201/ci

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  shiozaki

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Commits on Sep 12, 2017

• to compile with icc

  jwpk1201

  committed
  4efac2f

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Commits on Aug 24, 2017

• not generating useless gamma

  jwpk1201

  committed
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Commits on Feb 14, 2017

• Merge pull request #4 from jwpk1201/ci

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  shiozaki

  authored
  41bafc0

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• ci separation

  jwpk1201

  committed
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Commits on Aug 16, 2016

• acknowledgment

  shiozaki

  committed
  c74f539

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Commits on Jul 30, 2016

• minor fix

  shiozaki

  committed
  d3b6081

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Commits on Apr 27, 2016

• preparing for shift y

  shiozaki

  committed
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Commits on Apr 26, 2016

• Re-introducing <I|0> terms for MS-CASPT2 grad

  shiozaki

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Commits on Apr 23, 2016

• minor adjustment

  shiozaki

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Commits on Apr 22, 2016

• further adjustment for MS-CASPT2 ci derivative

  shiozaki

  committed
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Commits on Apr 21, 2016

• bug fixed for MSCASPT2 grad

  shiozaki

  committed
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Commits on Apr 19, 2016

• preparing for MS-CASPT2 gradient

  shiozaki

  committed
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Commits on Apr 17, 2016

• Op's constructor is now explicit (because they were causing problems). Associated changes included.

  shiozaki

  committed
  c4cd336

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• minor

  shiozaki

  committed
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Commits on Mar 23, 2016

• bug fix!

  shiozaki

  committed
  5bb46e7

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• properly generates spin-density matrix code (hopefully!)

  shiozaki

  committed
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Commits on Mar 22, 2016

• sort alpha indices to the front in RDMs

  shiozaki

  committed
  cad3be4

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• bug fix

  shiozaki

  committed
  3bfe777

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• another intermediate checkin. Most of the equations are right, but there are still some strange behavior

  shiozaki

  committed
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Commits on Mar 21, 2016

• making the code deterministic...

  shiozaki

  committed
  e67f242

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• intermediate check in - changes for spin density matrices

  shiozaki

  committed
  2d9388c

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• new scripts

  shiozaki

  committed
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