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Commits on Feb 11, 2016

• Revert "Added **kwargs to all handler constructors to prevent crashing when modifying multiple handlers' parameters"

  Show description for d5f70fc
  dcossey014

  committed
  d5f70fc

Commits on Feb 8, 2016

• Added **kwargs to all handler constructors to prevent crashing when modifying multiple handlers' parameters

  dcossey014

  committed
  219b476

Commits on Feb 2, 2016

• Merge pull request materialsproject#21 from materialsproject/alt_brmix_strategy

  Show description for e58f228
  shyuep

  committed
  e58f228

• fix test for brmix error handler

  tschaume

  committed
  3c6f44d

Commits on Feb 1, 2016

• vasp.handlers: error counter for brmix

  tschaume

  committed
  b859e6d

• brmix in vasp.handlers: fall back on prev strategy, try Monkhorst

  tschaume

  committed
  7df4d5d

• vasp.handlers: alternative BRMIX error strategy

  tschaume

  committed
  0ad6486

Commits on Jan 20, 2016

• Merge remote-tracking branch 'origin/master'

  xhqu1981

  committed
  4f98518

• use srun on Edison

  xhqu1981

  committed
  d7f1c11

Commits on Jan 16, 2016

• INclude setup.cfg.

  shyuep

  committed
  42b3aab

• REmove ez_setup and add requirements to MANIFEST.

  shyuep

  committed
  198fe00

Commits on Jan 15, 2016

• Add bdist_wheel

  shyuep

  committed
  0ef1c54

Commits on Jan 7, 2016

• iFix setup.py as well.

  shyuep

  committed
  316fea4

• Upgrade pmg version.

  shyuep

  committed
  dad1133

• Merge pull request materialsproject#20 from montoyjh/master

  Show description for b4d9e0f
  shyuep

  committed
  b4d9e0f

• minor bug fix in vasp handling of kpoints

  montoyjh

  committed
  d2c57e4

Commits on Dec 21, 2015

• use np instead of n to keep consistent

  xhqu1981

  committed
  2c2a9fc

• fix temp dir creation command launch bug on Mendel

  xhqu1981

  committed
  45fadc0

Commits on Dec 20, 2015

• add QChem Job Mendel support

  

  Xiaohui Qu

  committed
  1cb189d

Commits on Dec 15, 2015

• fix logging bug

  

  Xiaohui Qu

  committed
  7a575fd

• add logging information about the scratch directory

  

  Xiaohui Qu

  committed
  c50a1d0

Commits on Dec 13, 2015

• fix node list option bug on Cori

  

  Xiaohui Qu

  committed
  3213705

Commits on Dec 8, 2015

• fix unittest error due to the openmp/half_cups preference

  xhqu1981

  committed
  0f4897d

• make QChem custodian NERSC Cori compatible

  xhqu1981

  committed
  c174dbe

Commits on Dec 3, 2015

• only On NERSC do the tweak

  xhqu1981

  committed
  79af253

• fix another QChem tweaking bug

  xhqu1981

  committed
  1cf03d7

• fix QChem tweaking bug

  xhqu1981

  committed
  23530a3

• fix get current qchem version bug

  xhqu1981

  committed
  b1d49b9

Commits on Nov 17, 2015

• fix qchem_info import error

  xhqu1981

  committed
  4ab1265

• add QChem SCF convergence method pseudo-Fractional Occupation Number

  xhqu1981

  committed
  06355ac

• add revert to version function for SCF fix to make the adding of new SCF fix strategy easier

  xhqu1981

  committed
  4753cb7

• Edison/Hopper try MPI version first since it is more efficient

  xhqu1981

  committed
  3821f08

• remove -seq option in case of QChem 4.3

  xhqu1981

  committed
  9a3197b

• makes all the command tokens unicode

  xhqu1981

  committed
  97bf110

• also modify alternate commands

  xhqu1981

  committed
  5a7fe38

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