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Commits on Mar 30, 2021

• Merge pull request #79 from e-kwsm/typo

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  loriab

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Commits on Jan 6, 2021

• Fix typo

  e-kwsm

  committed
  e4cb04a

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Commits on Sep 3, 2020

• Merge pull request #76 from loriab/qcsk_export_12

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  loriab

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Commits on Sep 2, 2020

• add linting

  loriab

  committed
  54bed24

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• fix docs year. fix test suite (w/o dev). listen for qcel- branches.

  loriab

  committed
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Commits on Aug 14, 2020

• Merge pull request #74 from loriab/qcsk_export_2

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  bennybp

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Commits on Aug 13, 2020

• copy dev into v2. fix up wfn shape field for json.

  loriab

  committed
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• patch up v1, vdev testing (#73)

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  loriab

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Commits on Aug 6, 2020

• Create readthedocs.yml

  loriab

  authored
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• Merge pull request #72 from MolSSI/loriab-patch-2

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  loriab

  authored
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• Update gen_schema_docs.py

  loriab

  authored
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• Update README.md

  loriab

  authored
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Commits on Oct 1, 2019

• Update index.rst

  dgasmith

  authored
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Commits on Sep 26, 2019

• Merge pull request #65 from mattwelborn/wavefunction

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  dgasmith

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Commits on Sep 23, 2019

• PR comment: typos

  mattwelborn

  committed
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• doc CCA order

  mattwelborn

  committed
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• formatting

  mattwelborn

  committed
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• PR comments: make return results names of other fields instead of duplicate data

  mattwelborn

  committed
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• Pr comments:

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  mattwelborn

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• PR comment: add shape field

  mattwelborn

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Commits on Sep 6, 2019

• remove debug print statements

  mattwelborn

  committed
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• WIP docs

  mattwelborn

  committed
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Commits on Sep 5, 2019

• Adds required name field to basis, and other PR comments

  mattwelborn

  committed
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Commits on Sep 4, 2019

• specifies basis representation of matrices

  mattwelborn

  committed
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• Adds output schema for wavefunction (one-electron) quantities

  mattwelborn

  committed
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Commits on Jun 5, 2019

• Merge pull request #62 from bennybp/master

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  dgasmith

  authored
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Commits on May 8, 2019

• Update description of basis data and map

  bennybp

  committed
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Commits on May 7, 2019

• Update PR with suggested edits

  bennybp

  committed
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Commits on May 3, 2019

• Clean up basis set schema

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  bennybp

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Commits on Apr 23, 2019

• Added CCSD quantities to the QCSchema following MP2 as an example (#61)

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  sjrl

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  dgasmith

  committed
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Commits on Feb 25, 2019

• qcschema_input and qcschema_molecule updating (#60)

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  loriab

  authored and

  dgasmith

  committed
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Commits on Dec 14, 2018

• clarify frag ordering, req'd prov fields, user guidance (#57)

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  loriab

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  dgasmith

  committed
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Commits on Oct 24, 2018

• Merge pull request #53 from loriab/patch-5

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  dgasmith

  authored
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Commits on Oct 23, 2018

• Update molecule.py

  loriab

  authored
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Commits on Oct 19, 2018

• Merge pull request #44 from loriab/psimolext

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  dgasmith

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