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Commits on Jun 20, 2022

• Fix bug.

  dingye18

  committed
  67b8777

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• Merge pull request #1 from tanqz-jojo/master

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  dingye18

  authored
  3e5fa08

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• Merge branch 'andysim:master' into master

  

  Ye Ding

  authored
  ae91e4a

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Commits on Jun 16, 2022

• fix deal with single ion polarization

  tanqz-jojo

  committed
  d1918b1

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Commits on Feb 8, 2022

• Update for OMM 7.6+

  andysim

  committed
  43450d7

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Commits on Jan 6, 2022

• Fix bugs.

  dingye18

  committed
  c3223be

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• Update getInducedDipoles output type for reference platform.

  dingye18

  committed
  cca5688

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• Update output of getInducedDipoles from Vec3 to double

  dingye18

  committed
  e344f3b

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Commits on Jul 13, 2021

• Merge pull request #8 from andysim/docs

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  andysim

  authored
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• Link to github pages

  andysim

  committed
  6a5ee6c

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• Remove moved files

  andysim

  committed
  003e374

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• Restructure docs directories

  andysim

  committed
  96e6810

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• Update index

  andysim

  committed
  2453b66

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• Add BSD-3 license

  andysim

  committed
  ab07160

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• Add initial MkDocs documentation

  andysim

  committed
  63279fb

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• Merge pull request #7 from andysim/tholexml

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  andysim

  authored
  c25052e

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• Allow defaultTholeWidth in XML tag

  andysim

  committed
  27a9314

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• Merge pull request #6 from andysim/xmlclean

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  andysim

  authored
  71c5820

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• Cleanup XML files

  andysim

  committed
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Commits on Jul 12, 2021

• Merge pull request #5 from andysim/scale14

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  andysim

  authored
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• Implement 1-4 scaling

  andysim

  committed
  cf74162

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Commits on Jul 9, 2021

• Merge pull request #4 from andysim/remove15

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  andysim

  authored
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• Prevent 1-5 interactions being added to exclusions.

  andysim

  committed
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Commits on Apr 19, 2021

• Update readme with alchemical ethane details

  andysim

  committed
  099d3c6

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• Modify all electrostatic params in alchemy example

  andysim

  committed
  e88ecb7

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• Remove superfluous loops from example

  andysim

  committed
  3baa942

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• Fix some parameter setting, add alchemy example

  andysim

  committed
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Commits on Apr 14, 2021

• Remove restriction of atom types being numeric

  andysim

  committed
  8e0fec9

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• Update examples

  andysim

  committed
  a11ffd6

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Commits on Apr 12, 2021

• Merge branch 'master' of github.com:andysim/MPIDOpenMMPlugin

  andysim

  committed
  03a563c

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• Merge pull request #2 from andysim/omm75fix

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  andysim

  authored
  c0df399

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• Update waterbox after short equilibration

  andysim

  committed
  8e3782a

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• Remove debug printing from wrapper

  andysim

  committed
  6f22d3f

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• Fix CUDA code to work with OMM 7.5

  andysim

  committed
  4b75f36

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Commits on Mar 31, 2021

• Reorganize tests, for debugging

  andysim

  committed
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