Overview

Request 708181 accepted

- bump version to 20190605 (stable)
* General changes:
+ further tweaks and improvements to building LAMMPS with CMake.
+ improved error messages
+ refactoring of Install.py scripts in the lib folders to use the argparse module
+ better checking for style compatibility with suffixed styles
* New packages:
+ USER-YAFF providing styles for force fields using QuickFF used for simulation of MOFs
+ USER-ADIOS package to provide Exascale compatible I/O support for dump files through the ADIOS v2.x library
* Updates for packages:
+ consolidation of "soft" pair styles in USER-FEP package and addition of CLASS2 pair style variants.
+ KOKKOS package bugfixes and enhancements (Stan Moore, SNL)
+ new generalized pair style granular (Dan S. Bolintineanu, Ishan Srivastava, Jeremy B. Lechman, SNL)
+ new pair style drip for dihedral-angle-corrected registry-dependent interlayer potential (DRIP)
+ new pair style e3b for adding option to model the E3B water potential (Steven E. Strong, U Chicago)
+ new fix style electron/stopping for modeling energy loss through interactions high speed atoms with electrons
+ update to USER-COLVARS package to version 2019-04-26
+ update of the KIM package to use KIM-API v2.0 (Ryan Elliot, UMN)
+ update to USER-INTEL package to enable use of the package with -DLAMMPS_BIGBIG
+ update to USER-PTM package. examples added, license info updated, documentation updates (Peter Larsen, MIT)
+ updates and additions to the SPIN package (Julien Tranchida, SNL)
+ updates to hyper-dynamics support (Steve Plimpton, SNL)
+ updates, improvements, and bugfixes to fix bond/react (Jake Gissinger, U Colorado)
+ bugfix/refactoring of REBO pair style to correctly implement what is advertised in the documentation.
- enable support for kim through kim-api package

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Request History
Christoph Junghans's avatar

cjunghans created request

- bump version to 20190605 (stable)
* General changes:
+ further tweaks and improvements to building LAMMPS with CMake.
+ improved error messages
+ refactoring of Install.py scripts in the lib folders to use the argparse module
+ better checking for style compatibility with suffixed styles
* New packages:
+ USER-YAFF providing styles for force fields using QuickFF used for simulation of MOFs
+ USER-ADIOS package to provide Exascale compatible I/O support for dump files through the ADIOS v2.x library
* Updates for packages:
+ consolidation of "soft" pair styles in USER-FEP package and addition of CLASS2 pair style variants.
+ KOKKOS package bugfixes and enhancements (Stan Moore, SNL)
+ new generalized pair style granular (Dan S. Bolintineanu, Ishan Srivastava, Jeremy B. Lechman, SNL)
+ new pair style drip for dihedral-angle-corrected registry-dependent interlayer potential (DRIP)
+ new pair style e3b for adding option to model the E3B water potential (Steven E. Strong, U Chicago)
+ new fix style electron/stopping for modeling energy loss through interactions high speed atoms with electrons
+ update to USER-COLVARS package to version 2019-04-26
+ update of the KIM package to use KIM-API v2.0 (Ryan Elliot, UMN)
+ update to USER-INTEL package to enable use of the package with -DLAMMPS_BIGBIG
+ update to USER-PTM package. examples added, license info updated, documentation updates (Peter Larsen, MIT)
+ updates and additions to the SPIN package (Julien Tranchida, SNL)
+ updates to hyper-dynamics support (Steve Plimpton, SNL)
+ updates, improvements, and bugfixes to fix bond/react (Jake Gissinger, U Colorado)
+ bugfix/refactoring of REBO pair style to correctly implement what is advertised in the documentation.
- enable support for kim through kim-api package


Christoph Junghans's avatar

cjunghans accepted request

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