Code

Update for OEAssignCharges#255

Code

Merged

davidlmobley merged 9 commits intomasterchoderalab/openmoltools:masterfrom update/assignchargeschoderalab/openmoltools:update/assignchargesCopy head branch name to clipboardMay 17, 2017

+42-18

Commits

Commits on May 8, 2017

• Replace OEAssignPartialCharges with OEAssignCharges

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  d1cc7e8

• Add warning messages for keep_confs settings

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  b65cd51

Commits on May 9, 2017

• Change logger warnings to debug, increase travis verbosity to 3

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  ca8164f

• Revert back changes to see if travis tests pass

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  2680d38

Commits on May 10, 2017

• Switch to OEAssignCharges and add 'travis_wait' to tests

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  ab60ca5

• Move travis_wait to install line

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  68e43b9

• Add option to use new OE charging engine, defaults to old function

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  ce4e9db

• Remove travis_wait line

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  837a859

Commits on May 17, 2017

• Add tests for new OEAssignCharges function.

  

  Nathan M. Lim

  authored and

  Nathan M. Lim

  committed
  68c19a6