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Collected small changes for the next patch release #1374

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merged 8 commits into from Mar 25, 2019

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@akohlmey
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akohlmey commented Mar 22, 2019

Summary

This pull request combines multiple small bugfixes and updates.

Author(s)

Axel Kohlmeyer (Temple U)

Licensing

By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).

Backward Compatibility

yes.

Implementation Notes

Included are the following individual changes:

  • updated README file with new e-mail addresses for USER-SMTBQ
  • bugfix for crashes due to calling memory->destroy() on uninitialized arrays with pair style buck/coul/cut
  • bugfix for dump_modify pbc yes with triclinic cells. fixes #1378
  • consistent handling of copymode flag in pair style destructors
  • fix for a small memory leak in pair style hybrid when reading restart files
  • explicitly compile OpenCL kernels in GPU package for OpenCL 1.2
  • add option to CMake build to override the location of the VMD molfile plugin headers when using the USER-MOLFILE package.

Post Submission Checklist

Please check the fields below as they are completed after the pull request has been submitted. Delete lines that don't apply

  • The feature or features in this pull request is complete
  • Licensing information is complete
  • Corresponding author information is complete
  • The source code follows the LAMMPS formatting guidelines
  • The feature has been verified to work with the conventional build system
  • The feature has been verified to work with the CMake based build system
  • A package specific README file has been included or updated

akohlmey added some commits Mar 22, 2019

@akohlmey akohlmey added this to the Stable Release Spring 2019 milestone Mar 22, 2019

@akohlmey akohlmey self-assigned this Mar 22, 2019

@akohlmey akohlmey requested review from stanmoore1 and sjplimp Mar 22, 2019

@akohlmey akohlmey requested a review from ndtrung81 Mar 22, 2019

@akohlmey akohlmey requested review from junghans and rbberger as code owners Mar 22, 2019

@akohlmey akohlmey added the cmake label Mar 22, 2019

@sjplimp
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sjplimp left a comment

all seem fine

@akohlmey akohlmey merged commit 2f20581 into lammps:master Mar 25, 2019

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@akohlmey akohlmey deleted the akohlmey:collected-small-fixes branch Mar 25, 2019

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