lammps/toolslammm-master-deprecated
lammps/tools
lammm-master-deprecated
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
11533ea7590e | Axel Kohlmeyer | have to disable user-intel from RPM builds since requires intel compiler | Dec 23 2014 | |||
e0aab3f64fb3 | Axel Kohlmeyer | update status message | Nov 26 2014 | |||
475aa20270a7 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Nov 25 2014 | |||
b2e008ee04e4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12771 f3b2605a-c512-4ea7… | Nov 24 2014 | |||
997f7a8845a2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12769 f3b2605a-c512-4ea7… | Nov 24 2014 | |||
72bf576c1a67 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Nov 21 2014 | |||
3a10de35be68 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12750 f3b2605a-c512-4ea7… | Nov 20 2014 | |||
1c8a91295701 | Axel Kohlmeyer | fix file handle leak | Oct 29 2014 | |||
e5aebaf21269 | Axel Kohlmeyer | safer parsing of force field data | Oct 29 2014 | |||
838ca5f5d3f2 | Axel Kohlmeyer | update build scripts for steve's make system updates | Sep 26 2014 | |||
63314dc5bf34 | Axel Kohlmeyer | adjusted rpm building README for CentOS 7 | Sep 26 2014 | |||
89c7a5df328b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7… | Sep 12 2014 | |||
60d5b70bdd0b | Axel Kohlmeyer | add test case for larger system names | Sep 12 2014 | |||
faa059f09792 | Axel Kohlmeyer | refactored MDF file reader in msi2lmp to handle long names consistently | Sep 11 2014 | |||
d631b1742adb | Axel Kohlmeyer | update list of examples for pre-compiled packages | Sep 6 2014 | |||
5cacfdbdf873 | Axel Kohlmeyer | we cannot build USER-INTEL for windows at the moment, since it doesn't support… | Aug 19 2014 | |||
069ee603757b | Axel Kohlmeyer | update settings so one can compile LAMMPS for windows with USER-INTEL | Aug 19 2014 | |||
c3dd8b9e32c4 | Axel Kohlmeyer | request aligned memory for compatibility with USER-INTEL | Aug 19 2014 | |||
d2502b791463 | Axel Kohlmeyer | need to request 64-byte memory alignment to be compatible with USER-INTEL | Aug 19 2014 | |||
39a94bfbdca2 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 19 2014 | |||
7e3fd44a0b9b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12303 f3b2605a-c512-4ea7… | Aug 13 2014 | |||
1c6cac8ae570 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 7 2014 | |||
0553f4af2b94 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12168 f3b2605a-c512-4ea7… | Jul 2 2014 | |||
7ad7147e83ba | Axel Kohlmeyer | mention lack of KOKKOS support | Jun 25 2014 | |||
71ed5e51d2f1 | Axel Kohlmeyer | disable KOKKOS from pre-compiled packages. | Jun 25 2014 | |||
4e3bc9d059a9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7… | May 30 2014 | |||
fe52a042a365 | Axel Kohlmeyer | implement force style hints for coefficient entries a la topotools | May 28 2014 | |||
21c6f77ac174 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | May 16 2014 | |||
474a7279e252 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11995 f3b2605a-c512-4ea7… | May 15 2014 | |||
24fb679e5579 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | May 10 2014 | |||
db78f042efe3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11955 f3b2605a-c512-4ea7… | May 9 2014 | |||
fc62bdc5cb96 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | May 7 2014 | |||
4a1807d39739 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11915 f3b2605a-c512-4ea7… | May 6 2014 | |||
acae56ce8245 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11914 f3b2605a-c512-4ea7… | May 6 2014 | |||
4fbf7105d6be | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | May 3 2014 | |||
6883b645faa3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11898 f3b2605a-c512-4ea7… | May 2 2014 | |||
9a0d1c765b87 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11897 f3b2605a-c512-4ea7… | May 2 2014 | |||
69c06791a580 | Axel Kohlmeyer | import USER-FEP package from https://github.com/agiliopadua/compute_fep | Apr 18 2014 | |||
8cdab4d10f51 | Axel Kohlmeyer | newer fedora now uses -mpich instead of -mpich2 | Apr 11 2014 | |||
20bb47e06a1f | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Apr 5 2014 | |||
c06854235718 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11697 f3b2605a-c512-4ea7… | Apr 4 2014 | |||
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 |
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