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Commits on Aug 2, 2019

• report error instead of crashing when CV out of bounds by far

  

  Jens Glaser

  committedAug 2, 2019
  3872174

Commits on Apr 17, 2019

• enable multi-GPU cv.wrap()

  

  Jens Glaser

  committedApr 17, 2019
  999b6e1

Commits on Apr 16, 2019

• adapt to HOOMD-blue 2.5.0

  

  Jens Glaser

  committedApr 16, 2019
  b6802f2

Commits on Nov 5, 2018

• reduce number of bins

  

  Jens Glaser

  committedNov 5, 2018
  b0dd6c1

• add rudimentary unit test

  

  Jens Glaser

  committedNov 5, 2018
  d8060de

Commits on Oct 14, 2018

• allow umbrella sampling with bias potential surface

  

  Jens Glaser

  committedOct 14, 2018
  83693ed

Commits on Jun 20, 2018

• add test script for mesh collective variable

  

  Jens Glaser

  committedJun 20, 2018
  c25092f

• forgot factor

  

  Jens Glaser

  committedJun 20, 2018
  bbe38dc

• fix diagonal term

  

  Jens Glaser

  committedJun 20, 2018
  356f5b9

Commits on Jun 19, 2018

• compile without MPI

  

  Jens Glaser

  committedJun 19, 2018
  8039ce9

Commits on Jun 15, 2018

• Revert "write out tensor of bias potential derivatives"

  

  Jens Glaser

  committedJun 15, 2018
  c859a38

• Revert "fix segfault"

  

  Jens Glaser

  committedJun 15, 2018
  386269e

• Revert "really fix segfault"

  

  Jens Glaser

  committedJun 15, 2018
  61ff2e8

• add profiling statement

  

  Jens Glaser

  committedJun 15, 2018
  a23aa85

• really fix segfault

  

  Jens Glaser

  committedJun 15, 2018
  96d0ddc

• changes for pybind compatibility

  

  Jens Glaser

  committedJun 15, 2018
  5557bac

• fix segfault

  

  Jens Glaser

  committedJun 15, 2018
  3d41e36

• write out tensor of bias potential derivatives

  

  Jens Glaser

  committedJun 15, 2018
  122a472

Commits on May 26, 2018

• cuda 7.5 compatibility

  

  Jens Glaser

  committedMay 26, 2018
  34b931f

• subtract self-interaction

  

  Jens Glaser

  committedMay 26, 2018
  440ca82

• add time step suffix to grid output

  

  Jens Glaser

  committedMay 26, 2018
  5b985ec

Commits on May 25, 2018

• update to HOOMD 2.3

  

  Jens Glaser

  committedMay 25, 2018
  688b37b

Commits on Dec 6, 2017

• Merged in csadorf/metadynamics-plugin/sphinx (pull request #1)

  

  csadorf

  authored and

  Jens Glaser

  committedDec 6, 2017
  fd0c29d

Commits on Dec 5, 2017

• Merge branch 'master' into sphinx

  csadorf

  committedDec 5, 2017
  cc4d1ef

• Merged jens_glaser/metadynamics-plugin into master

  csadorf

  committedDec 5, 2017
  95121ab

• Fix comment.

  csadorf

  committedDec 5, 2017
  160ce33

• General code cleanup (python modules).

  csadorf

  committedDec 5, 2017
  f5126aa

• Convert the Doxygen mark-up to sphinx-markup in python modules.

  csadorf

  committedDec 5, 2017
  aef0093

Commits on Dec 4, 2017

• only depend on dfftlib with ENABLE_MPI=ON

  

  Jens Glaser

  committedDec 4, 2017
  e7237a4

Commits on Nov 10, 2017

• fix typcasting bug

  

  Jens Glaser

  committedNov 10, 2017
  0b540c4

Commits on Nov 9, 2017

• correct cv.density

  

  Jens Glaser

  committedNov 9, 2017
  28003de

• correct virial for cv.wrap

  

  Jens Glaser

  committedNov 9, 2017
  ad6b744

• provide group argument to cv.density

  

  Jens Glaser

  committedNov 9, 2017
  45c6740

• export cv.density

  

  Jens Glaser

  committedNov 9, 2017
  ab8ced3

Commits on Nov 6, 2017

• add number density as collective variable

  

  Jens Glaser

  committedNov 6, 2017
  120f3bf

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