lammps/toolslammm-master-deprecated
lammps/tools
lammm-master-deprecated
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
569259e7dc2b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11696 f3b2605a-c512-4ea7… | Apr 4 2014 | |||
430aed042a86 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 20 2014 | |||
544bf593c501 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7… | Mar 19 2014 | |||
e3256bea3f87 | Axel Kohlmeyer | small documentation update | Mar 18 2014 | |||
573db9e2f7e7 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 12 2014 | |||
c805aa4c6179 | Axel Kohlmeyer | make writing style hints optional via flag for backward compatibility | Mar 10 2014 | |||
3f7d79ab82ab | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7… | Mar 10 2014 | |||
d9b8b60b10bd | Axel Kohlmeyer | update data file with pre-style marker versions | Mar 7 2014 | |||
665464b6815d | Axel Kohlmeyer | have a consistent msi2lmp version string through a define | Mar 7 2014 | |||
7119cc94b4d6 | Axel Kohlmeyer | add second test case with triclinic cell | Mar 7 2014 | |||
3ce3bfea5ecd | Axel Kohlmeyer | bugfix for triclinic cells | Mar 7 2014 | |||
2fcb0a3e9216 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Feb 6 2014 | |||
476b6d0e04f2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11478 f3b2605a-c512-4ea7… | Feb 5 2014 | |||
5be330aa8f9f | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Feb 3 2014 | |||
6f99bf9132da | Axel Kohlmeyer | fix a few more cases of incorrect markup | Feb 3 2014 | |||
d5e0964656e0 | Axel Kohlmeyer | add colvars tools description and fix markup bugs | Feb 3 2014 | |||
a16612ffbee5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11447 f3b2605a-c512-4ea7… | Feb 1 2014 | |||
ceb4da003907 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11434 f3b2605a-c512-4ea7… | Feb 1 2014 | |||
57b7ebbef002 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11433 f3b2605a-c512-4ea7… | Feb 1 2014 | |||
948dc517e299 | Axel Kohlmeyer | update build scripts for rpm and mingw to support MPIIO package | Jan 23 2014 | |||
e16dd66358ea | Axel Kohlmeyer | include deposit example in precompiled packages | Dec 19 2013 | |||
582b7bdbc681 | Axel Kohlmeyer | forgot to extract colvar tools | Dec 16 2013 | |||
dcbf3b993186 | Axel Kohlmeyer | include abf_integrate tool from colvars into precompiled packages | Dec 16 2013 | |||
58c693abb681 | Axel Kohlmeyer | update colvars code to git version as of 2013-12-16 | Dec 16 2013 | |||
fb7ecfd4a8cc | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Nov 23 2013 | |||
930149e5e656 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11046 f3b2605a-c512-4ea7… | Nov 22 2013 | |||
a64f7f239eeb | Axel Kohlmeyer | update for new releases of fedora (20) and opensuse (13.1) | Nov 20 2013 | |||
97fa4aa742c6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11022 f3b2605a-c512-4ea7… | Nov 18 2013 | |||
e4037e8ab41e | Axel Kohlmeyer | bugfix: tag is int, but image is tagint | Nov 18 2013 | |||
b22f1876dcd1 | Axel Kohlmeyer | handle the fact that USER-LB cannot be used without a real MPI library | Nov 9 2013 | |||
dc1278ee51e6 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Nov 5 2013 | |||
6eac9cb9bc4f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10941 f3b2605a-c512-4ea7… | Nov 4 2013 | |||
bbeddc892238 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10940 f3b2605a-c512-4ea7… | Nov 4 2013 | |||
5f9001a59de0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7… | Nov 4 2013 | |||
e03a6e9fa5f1 | Axel Kohlmeyer | adapt for recent changes in LAMMPS-ICMS | Nov 3 2013 | |||
6fbcc0b21824 | Axel Kohlmeyer | bundle gzip.exe and ffmpeg.exe with our windows packages | Nov 3 2013 | |||
c400f544f0cd | Axel Kohlmeyer | enable support for gzip and ffmpeg for windows builds. bundle binaries | Nov 3 2013 | |||
a886c8450a0f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
0f1efa0c79d6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
3285598d8dab | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
5ec1f8057e6d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
bf7d7bbbbdb5 | Axel Kohlmeyer | add comments indicating the atom type/name string to the output | Oct 26 2013 | |||
950db5826c11 | Axel Kohlmeyer | update cross-compilations instructions to include libpng support | Oct 26 2013 | |||
ff179765da30 | Axel Kohlmeyer | need to bundle PNG and Zlib runtime with windows installer | Oct 26 2013 | |||
823c3f902013 | Axel Kohlmeyer | update rpm build instructions and script for newly added PNG support | Oct 26 2013 | |||
566bfaa0739f | Axel Kohlmeyer | delete obsolete test input | Oct 26 2013 | |||
4f7278987022 | Axel Kohlmeyer | prepare build scripts for inclusion of USER-QMMM into LAMMPS-ICMS | Oct 11 2013 | |||
e4ed2c2804f4 | Axel Kohlmeyer | need to clean up before building msi2lmp or else the 64-bit build will fail | Oct 9 2013 | |||
7c2fee933eca | Axel Kohlmeyer | added new test case for class1 and class2 | Oct 8 2013 | |||
e8653aaafdca | Axel Kohlmeyer | add contributed parameters | Oct 8 2013 | |||
db31687e64ab | Axel Kohlmeyer | update version number in written data file | Oct 8 2013 | |||
05dd9fe9fb5d | Axel Kohlmeyer | msi2lmp bugfix and cleanup | Oct 8 2013 | |||
0fad40b8188e | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Sep 24 2013 | |||
8334d6123dce | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10833 f3b2605a-c512-4ea7… | Sep 24 2013 | |||
0724cdd4b6ad | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10832 f3b2605a-c512-4ea7… | Sep 24 2013 | |||
41356b5eed3b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10826 f3b2605a-c512-4ea7… | Sep 23 2013 | |||
32c0368d93ee | Axel Kohlmeyer | fix typo | Sep 21 2013 | |||
d990ab28df33 | Axel Kohlmeyer | fix incorrect path | Sep 21 2013 | |||
b1a183ffa6ed | Axel Kohlmeyer | include createatoms in binary packages | Sep 21 2013 | |||
b4276126b7a8 | Axel Kohlmeyer | make lammpsplot tool more portable | Sep 21 2013 | |||
98f3a87b0bb1 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Sep 21 2013 | |||
5302ad50d7de | athomps | Added xmgrace folder | Sep 20 2013 | |||
09c9148250af | athomps | Added xmgrace folder | Sep 20 2013 | |||
c3867f51ad20 | Axel Kohlmeyer | include new example directories into distribution | Sep 16 2013 | |||
34e990cd8f1d | Axel Kohlmeyer | include new advanced examples into distribution | Sep 13 2013 | |||
8affd9162df9 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 11 2013 | |||
14df2cfca11f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10755 f3b2605a-c512-4ea7… | Sep 11 2013 | |||
1f6ec6d82c47 | Axel Kohlmeyer | fix compilation of xmovie on fedora 19 | Sep 8 2013 | |||
15d40dffa57a | Axel Kohlmeyer | add forgotten %endif | Aug 26 2013 | |||
1ff5b2487a55 | Axel Kohlmeyer | add support for newer MPICH packages on FC18/19 (v2.x vs. v3.x) | Aug 26 2013 | |||
2da0db319c38 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 24 2013 | |||
2ea115cfc2ec | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10663 f3b2605a-c512-4ea7… | Aug 23 2013 | |||
f143f1a5465d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10662 f3b2605a-c512-4ea7… | Aug 23 2013 | |||
98608c6e434b | Axel Kohlmeyer | use parallel compile throughout and include AtC examples | Aug 13 2013 | |||
ebe6ead34839 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10534 f3b2605a-c512-4ea7… | Aug 5 2013 | |||
9a97db1f954f | Axel Kohlmeyer | build in parallel. add msi2lmp proper readme. | Aug 3 2013 | |||
70aa47a8e237 | Axel Kohlmeyer | adjust for additional README file | Aug 3 2013 | |||
addeed415a25 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Aug 3 2013 | |||
c07625e15b3c | Axel Kohlmeyer | fix typo | Aug 2 2013 | |||
d4c0bcecdc66 | Axel Kohlmeyer | step version number of data file comparison tool | Aug 2 2013 | |||
60ac646a0ce3 | Axel Kohlmeyer | rename $BIOSYM_LIBRARY to $MSI2LMP_LIBRARY and biosym_frc_files for frc_files | Aug 2 2013 | |||
7b1a0c4b1f70 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10524 f3b2605a-c512-4ea7… | Aug 2 2013 | |||
0ce4185a7cbd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10523 f3b2605a-c512-4ea7… | Aug 2 2013 | |||
69d7e0a82341 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10522 f3b2605a-c512-4ea7… | Aug 2 2013 | |||
e3300dd7b36a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10521 f3b2605a-c512-4ea7… | Aug 2 2013 | |||
431a1b68a2fd | Axel Kohlmeyer | include msi2lmp test examples and data file in common package as example | Aug 2 2013 | |||
dbae00bfce44 | Axel Kohlmeyer | import and adapt changes from jeff greathouse to support opls-aa | Aug 2 2013 | |||
7d838f00b7ca | Axel Kohlmeyer | add likely installation dir for MPICH2 to %PATH | Jul 28 2013 | |||
60e58c44cf1f | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Jul 26 2013 | |||
6cc90ecca273 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10391 f3b2605a-c512-4ea7… | Jul 26 2013 | |||
d348e525e8ef | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10378 f3b2605a-c512-4ea7… | Jul 26 2013 | |||
fadc25d704ef | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10359 f3b2605a-c512-4ea7… | Jul 25 2013 | |||
9f07d255bf46 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10358 f3b2605a-c512-4ea7… | Jul 25 2013 | |||
4746837b5e25 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10317 f3b2605a-c512-4ea7… | Jul 24 2013 | |||
f6484736ec08 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Jul 24 2013 | |||
fd39535f88d7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10288 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
1d95bd961d33 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10287 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
8f9c6b5a0214 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10286 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
bec0c049d838 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10276 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
268c782771f1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10275 f3b2605a-c512-4ea7… | Jul 23 2013 |
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