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Commits on Nov 15, 2024

• NEB and IRC tests and examples were updated

  hjnpark

  committed
  b8a17f1

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Commits on Jun 19, 2024

• minor fix for setup.py

  hjnpark

  committed
  5155402

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Commits on May 13, 2024

• The pytest fixture was used to remove repetitive lines in test scripts.

  hjnpark

  committed
  fcadfd2

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Commits on Jul 18, 2023

• qcf_neb.nextchain handles the first NEB step instead of qcf_neb.prepare

  hjnpark

  committed
  ec1e5c6

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Commits on May 29, 2023

• NEB service relate functions moved to qcf_neb.py. ComputeMetric deleted.

  hjnpark

  committed
  a976db5

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• prepare.py and setup.py were modified

  hjnpark

  committed
  47ebec2

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Commits on May 21, 2023

• Enable remote execution of ASE via Work Queue

  leeping

  committed
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Commits on Oct 12, 2022

• Update author email

  leeping

  committed
  a176318

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Commits on Oct 4, 2022

• ENH: fix setup.py

  stenczelt

  committed
  98975b4

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• add ASE as optional dependency

  stenczelt

  committed
  3ae3247

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Commits on Mar 10, 2020

• Refactor optimize.py into several files

  leeping

  committed
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Commits on Feb 1, 2019

• logging

  smdi-gne

  committed
  6940223

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Commits on Aug 15, 2018

• Merge branch 'master' of github.com:leeping/geomeTRIC

  leeping

  committed
  61c0685

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Commits on Aug 14, 2018

• Updates setup to install tests folder

  dgasmith

  committed
  080c511

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Commits on Jul 26, 2018

• Added long_description

  leeping

  committed
  68a80c7

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• Add long_description for PyPI

  leeping

  committed
  807bd1b

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Commits on Apr 4, 2018

• install versioneer

  avirshup

  committed
  0ebb133

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Commits on Mar 10, 2018

• Updates setup.py with new requirements

  dgasmith

  committed
  535dd32

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Commits on Feb 22, 2018

• Changed optimize.py to geometric-optimize; fixed print-related issues; save old versions of output

  leeping

  committed
  016ef87

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Commits on Feb 21, 2018

• added bare bones setup.py

  ChayaSt

  committed
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