- Jul 31, 2018
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Axel Kohlmeyer authored
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- Jul 30, 2018
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HaoZeke authored
Also update the license and switch to GPL v2 like lammps
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HaoZeke authored
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HaoZeke authored
This is a squashed commit including the following changes: 1) Update mode header 2) Clean up white-space 3) Fix free variable warning 4) Add proper file ending stuff 5) Rename to keep conventional naming scheme 6) Updates to the readme 7) Update to conform to `package-lint` criteria 8) Add license header 9) Add in-file instructions
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- Jun 28, 2018
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Axel Kohlmeyer authored
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- Mar 12, 2018
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Yossi Eliaz authored
Some output fields have attributes attached on the same line. e.g. "ITEM: BOX BOUNDS pp pp pp". This patch replaced all the strcmpi to strncmpi in order to limit the number of character compared with LAMPPS outputs. Signed-off-by:
Yossi Eliaz <eliaz123@gmail.com>
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- Feb 19, 2018
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Feb 16, 2018
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Evangelos Voyiatzis authored
When compiling with g++ (GCC) 4.4.7 20120313 (Red Hat 4.4.7-18) an error occurs: error.cpp: In member function ‘void Error::generate_error(unsigned int, std::string, std::string)’: error.cpp:146: error: ‘exit’ was not declared in this scope The fix is to include the #include <cstdlib> where the exit() function is decleared in the error.cpp file
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- Jan 28, 2018
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Jan 17, 2018
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Dr. Nandor Tamaskovics authored
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Dr. Nandor Tamaskovics authored
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- Jan 16, 2018
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Dr. Nandor Tamaskovics authored
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- Jan 15, 2018
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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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- Oct 26, 2017
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Stefan Paquay authored
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- Sep 30, 2017
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Axel Kohlmeyer authored
- include the used tricubic functions directly as static functions - silence compiler warnings - define f2c.h imported data types directly or use C equivalents - since the direct LAPACK API was called and not cLAPACK, declare LAPACK interface and depend only on LAPACK - add proper dependencies - disable automatic minor version number generation. step version manually. - comment out optional spglib functionality by default
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- Aug 31, 2017
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Julien Devemy authored
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- Aug 24, 2017
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Axel Kohlmeyer authored
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- Aug 23, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Aug 14, 2017
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Axel Kohlmeyer authored
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- Jul 11, 2017
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Christoph Junghans authored
data2xmovie was removed in e110d696
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- Apr 17, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
- put a note into the manual - reorder contents of the README file - request for information should be sent to lammps-users - add list of known missing features
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- Mar 21, 2017
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Steve Plimpton authored
changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution
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- Mar 20, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Mar 07, 2017
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Richard Berger authored
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- Mar 06, 2017
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Richard Berger authored
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- Mar 05, 2017
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Richard Berger authored
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- Feb 04, 2017
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Agilio Padua authored
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- Jan 11, 2017
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Axel Kohlmeyer authored
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