lammps/pythonlammm-master-deprecated
lammps/python
lammm-master-deprecated
History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 57d7a4a6ad5f | Richard Berger | Add utility function to IPyLammps for embedding videos | Aug 10 2016 | |||
| 054b1cedb06d | Richard Berger | Add verbose option in PyLammps methods | Aug 10 2016 | |||
| 39b643a94bf6 | Richard Berger | Allow setting the position of atoms | Aug 9 2016 | |||
| 0a75617f4d9a | Richard Berger | Return 2D vectors in 2D cases | Aug 9 2016 | |||
| c17e700e866e | Richard Berger | Fix resource leak | Aug 9 2016 | |||
| c76672ab86e3 | Axel Kohlmeyer | remove erroneously added backup files | Jul 23 2016 | |||
| 01881e6fcc2d | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 23 2016 | |||
| 7dc6873c513c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15360 f3b2605a-c512-4ea7… | Jul 23 2016 | |||
| 952a0d1fb776 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15359 f3b2605a-c512-4ea7… | Jul 23 2016 | |||
| 778f4d338c78 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15358 f3b2605a-c512-4ea7… | Jul 23 2016 | |||
| 182425df1593 | Axel Kohlmeyer | add new API to library interface lammps_get_thermo(). include support in python… | Jul 22 2016 | |||
| a569a871c1e0 | Axel Kohlmeyer | shorten >80 char comment lines | Jul 20 2016 | |||
| 2b8a3a076ad9 | Axel Kohlmeyer | some python3 porting of pizza.py code | Jul 20 2016 | |||
| 21ea3ccfb76d | Axel Kohlmeyer | start porting some LAMMPS python module examples to python3 with compatibility… | Jul 19 2016 | |||
| fe5554735b3d | Axel Kohlmeyer | make destructor and close() function in PyLammps() class safe against… | Jul 19 2016 | |||
| 9a76df95c3da | Axel Kohlmeyer | make IPyLammps() class compatible with lammps() and PyLammps() arguments | Jul 19 2016 | |||
| 899c5401ab42 | Axel Kohlmeyer | accept PyLammps() and lammps() objects for ptr argument and initialize as needed | Jul 19 2016 | |||
| 0aebb2eabea6 | Axel Kohlmeyer | add type checking to 'ptr' argument for lammps() class constructor. raise… | Jul 19 2016 | |||
| 4ac8af8bea5c | Axel Kohlmeyer | support destructor and close(), version(), command() and file() methods from… | Jul 19 2016 | |||
| fcd4d7ceb709 | Axel Kohlmeyer | make PyLammps() constructor take the same arguments as lammps() and forward… | Jul 19 2016 | |||
| 052de8440f4a | Axel Kohlmeyer | derive class lammps from object to follow the usual python conventions | Jul 19 2016 | |||
| b83e4c82ec36 | Axel Kohlmeyer | Merge branch 'improved_python_interface' of https://github.com/rbberger/lammps… | Jul 19 2016 | |||
| 763f72fa3937 | Richard Berger | Updated iPython notebooks (Py2 and Py3 compatible) | Jul 19 2016 | |||
| abad5dfe3cbc | Richard Berger | Better Python 2 support and simpler construction | Jul 19 2016 | |||
| f33447dad502 | Axel Kohlmeyer | Merge branch 'improved_python_interface' of https://github.com/rbberger/lammps… | Jul 18 2016 | |||
| a394d1b4362e | Richard Berger | Updated README in python folder | Jul 18 2016 | |||
| ffab7ebba579 | Axel Kohlmeyer | fully restore steve's python formatting style | Jul 18 2016 | |||
| 45204726d881 | Richard Berger | Revert to 2 spaces for Steve | Jul 18 2016 | |||
| 80fce623ec65 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15326 f3b2605a-c512-4ea7… | Jul 16 2016 | |||
| 7bc6d1cfd253 | Richard Berger | Updated ipython examples | Jul 14 2016 | |||
| b232cc29dff7 | Richard Berger | Rename wrappers to PyLammps and IPyLammps | Jul 14 2016 | |||
| ed555b86ddf0 | Richard Berger | Add import for Py2 and Py3 compatibility | Jul 14 2016 | |||
| 85d7e571e310 | Richard Berger | Add bonds, angles, dihedrals and impropers information to Python wrapper | Jul 14 2016 | |||
| ee0a8a9d37da | Richard Berger | Update iPython interface usage example | Jun 28 2016 | |||
| dbd3a4d78376 | Richard Berger | Add support for atom style variable values | Jun 28 2016 | |||
| baa39e88a0ac | Richard Berger | Fix extraction of atom style variable | Jun 28 2016 | |||
| f876973bcccb | Richard Berger | Merge remote-tracking branch 'upstream/lammps-icms' into… | Jun 8 2016 | |||
| 34bf28cce05c | Martin Bauer | Another Python3 compatibility fix | Jun 7 2016 | |||
| b68a2b91ab4b | Richard Berger | Fix data type of stored value | May 31 2016 | |||
| 194a51216854 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15087 f3b2605a-c512-4ea7… | May 31 2016 | |||
| 2a9581db807d | Richard Berger | Added expanded example to showcase new interface usage | May 26 2016 | |||
| e7262acc4626 | Richard Berger | Simplify access to system, comm, variable and atom data | May 26 2016 | |||
| 171e1318781c | Richard Berger | Added function to evaluate arbitrary expressions | May 26 2016 | |||
| f4078ed7f763 | Richard Berger | Added easy way to access variable value | May 26 2016 | |||
| 8df11e192d02 | Richard Berger | Add properties to Python LAMMPS wrapper to access info command data | May 26 2016 | |||
| 03bde1b220bb | Richard Berger | Added iPython example and tutorial | May 24 2016 | |||
| 1ccc918d36f9 | Richard Berger | First version of more compact Python wrapper for LAMMPS | May 24 2016 | |||
| 6193893f8983 | Richard Berger | Reformat python interface | May 24 2016 | |||
| 674da56554b9 | Axel Kohlmeyer | make .gitignore python3 compatible | May 20 2016 | |||
| 19b9fef0b1cc | Martin Bauer | Fix typo in lammps.py | May 20 2016 | |||
| c3a95c782bd6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15039 f3b2605a-c512-4ea7… | May 12 2016 | |||
| 2e01e2160e45 | Axel Kohlmeyer | Merge branch 'merge-pull-55' into lammps-icms. add python3 compatibility | May 11 2016 | |||
| fb13d99fa3cd | Martin Bauer | lammps.py: Python3 Compatibility | May 11 2016 | |||
| 1f7823d87a56 | Martin Bauer | Python install.py: Python3 Compatibility | May 11 2016 | |||
| a70623ee430f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14592 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
| c81b3b2c1f93 | Axel Kohlmeyer | update LAMMPS version automatically from source code | Feb 11 2016 | |||
| 7183e000e738 | Axel Kohlmeyer | load lammps shared object for directory in LD_LIBRARY_PATH, if not found in… | Feb 11 2016 | |||
| f5c2e4c8954d | Axel Kohlmeyer | change python module installer to try installing into user-site dir if global… | Feb 11 2016 | |||
| e7d896a45938 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Dec 10 2015 | |||
| 87a47d8b9956 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14330 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
| 900a3aaf9d7b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14328 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
| 6eed163c7b2c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14327 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
| e000e4a04f45 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14326 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
| cacf29bc56e2 | Axel Kohlmeyer | update lammps python wrapper to support passing in a communicator from mpi4py | Dec 8 2015 | |||
| b10ae0abaf08 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7… | Nov 21 2015 | |||
| 328f0070fe42 | Axel Kohlmeyer | fix stupid typo | Nov 12 2015 | |||
| a7c5dfeefe91 | Axel Kohlmeyer | correct memory leak and incorrect access to global vectors and arrays for fixes… | Nov 12 2015 | |||
| ae980d6fd1f7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7… | Sep 2 2015 | |||
| 233a9edfa848 | Axel Kohlmeyer | expose numetical version id to library and python interface | Sep 1 2015 | |||
| 5e2ecf7ec3ce | Axel Kohlmeyer | handle lammps python module instances with names correctly. | Jul 10 2015 | |||
| 0449d00dcade | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 3 2015 | |||
| 79e142b2ca43 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13511 f3b2605a-c512-4ea7… | Jul 2 2015 | |||
| d47d0de2b2bb | Axel Kohlmeyer | simpler way to determine the source file location | Jun 30 2015 | |||
| 567d5a49cf2a | Axel Kohlmeyer | find LAMMPS shared object location for ctypes loading from introspection | Jun 29 2015 | |||
| 54233c58b148 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 18 2015 | |||
| fb2a894e03e3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13236 f3b2605a-c512-4ea7… | Mar 17 2015 | |||
| 65f4f1e938dc | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 14 2015 | |||
| 6f706543febc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13233 f3b2605a-c512-4ea7… | Mar 13 2015 | |||
| 1ed2f052c7dc | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 8 2014 | |||
| 3b9563910ef8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12173 f3b2605a-c512-4ea7… | Jul 7 2014 | |||
| 1ee7cb100d97 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jun 8 2014 | |||
| 87d0ff963b49 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12098 f3b2605a-c512-4ea7… | Jun 7 2014 | |||
| d5a534235500 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12097 f3b2605a-c512-4ea7… | Jun 7 2014 | |||
| 46e8e6c12078 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 18 2014 | |||
| f4a776d4c3e0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11247 f3b2605a-c512-4ea7… | Jan 17 2014 | |||
| 44917aeac7c2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10064 f3b2605a-c512-4ea7… | Jun 10 2013 | |||
| d91cbdf9235e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10063 f3b2605a-c512-4ea7… | Jun 10 2013 | |||
| 1f5dcb1ecf10 | Axel Kohlmeyer | use more portable shebang line in python scripts | Jun 9 2013 | |||
| 8a912603a5f0 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 12 2013 | |||
| 3ba07ca1e613 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9641 f3b2605a-c512-4ea7… | Mar 11 2013 | |||
| e5cc471307ba | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Nov 26 2012 | |||
| ed53c9d2d538 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9036 f3b2605a-c512-4ea7… | Nov 7 2012 | |||
| 5a75a6c82772 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Oct 26 2012 | |||
| 8663c9229319 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9012 f3b2605a-c512-4ea7… | Oct 25 2012 | |||
| 13dd457ae76f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9001 f3b2605a-c512-4ea7… | Oct 25 2012 | |||
| e2283d16092b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9000 f3b2605a-c512-4ea7… | Oct 25 2012 | |||
| f865058700c8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8999 f3b2605a-c512-4ea7… | Oct 25 2012 | |||
| 788b01cd7186 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Aug 18 2012 | |||
| d4215d884402 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8675 f3b2605a-c512-4ea7… | Aug 16 2012 | |||
| 2e7bd3367f6b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8672 f3b2605a-c512-4ea7… | Aug 15 2012 |
c4science · Help