- Jan 17, 2018
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Steven J Plimpton authored
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Steve Plimpton authored
Small character corrections to the file Developer.dox.lammps
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Steve Plimpton authored
USER-INTEL: Adding compiler flag and small fix to tersoff/intel for 2…
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Steve Plimpton authored
small changes to recent PR to standardize with other npair styles
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Dr. Nandor Tamaskovics authored
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Dr. Nandor Tamaskovics authored
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Axel Kohlmeyer authored
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- Jan 16, 2018
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Stan Moore authored
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Steven J Plimpton authored
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Steve Plimpton authored
Add ghost option to npair_halffull
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Steve Plimpton authored
Modification of ReaxFF
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Steve Plimpton authored
Tools for LAMMPS documentation for developers with the "doxygen" documentation platform
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Steve Plimpton authored
More improved variable error reporting
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Steve Plimpton authored
update of COUPLE/simple examples
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
# Conflicts: # src/create_bonds.cpp # src/delete_atoms.cpp
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
This implements the warning about a total cutoff shorter than 2x bond cutoff also to the USER-OMP variant of reax/c
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Steven J Plimpton authored
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Steven J Plimpton authored
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Dr. Nandor Tamaskovics authored
Merge branch 'lammps-tools-doxygen' of https://github.com/numericalfreedom/lammps into lammps-tools-doxygen
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Dr. Nandor Tamaskovics authored
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Axel Kohlmeyer authored
This should print a warning when 2x the bonded interaction cutoff list larger then other cutoffs, as was the setting before the performance optimization with the change in https://github.com/lammps/lammps/pull/758/commits/269007540569589aa7c81d9ba1a4b93d34b8c95d
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Axel Kohlmeyer authored
this now covers a large set of cases where the variable name can be printed. it also is complete for the current code, since no more default arguments are required
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Axel Kohlmeyer authored
this makes errors for "anonymous" evaluations (if statement, immediate variables) less confusing.
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Dr. Nandor Tamaskovics authored
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Steve Plimpton authored
Add ReaxFF Example
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Steve Plimpton authored
CMake compilation fixes
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Steve Plimpton authored
collected documentation fixes
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Steve Plimpton authored
Improved error messages when defining or evaluating variables
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Steve Plimpton authored
Enhance Kokkos Neighbor lists
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Steve Plimpton authored
Kokkos version of Pair SNAP and ZBL
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Steve Plimpton authored
New "coeffs" keyword added to "info" command
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Stan Moore authored
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Michael Brown authored
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- Jan 15, 2018
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Stan Moore authored
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Axel Kohlmeyer authored
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smoore authored
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Dr. Nandor Tamaskovics authored
are provided. New directory: tools/doxygen New file: tools/doxygen/Developer.dox.lammps New file: tools/doxygen/Doxyfile.lammps New file: tools/doxygen/doxygen.sh New file: tools/doxygen/README The Developer.dox.lammps file contains a slightly revised version of the Developer.pdf file adopted to the LAMMPS "doxygen" documentation. The Doxyfile.lammps file is a first proposal for a LAMMPS "doxygen" documentation flavor and can be adjusted to specific requirements. The "doxygen.sh" shell script generates the LAMMPS "doxygen" documentation. Detailed instructions can be found in the README file.
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- Jan 14, 2018
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Axel Kohlmeyer authored
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