lammps/toolslammm-master-deprecated
lammps/tools
lammm-master-deprecated
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
1aeecfb0cfcf | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Dec 16 2015 | |||
074d5962c8c6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7… | Dec 15 2015 | |||
5f802f86b54f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14366 f3b2605a-c512-4ea7… | Dec 15 2015 | |||
b1df2f770556 | Axel Kohlmeyer | update webpages for recent changes and newly supported distributions | Nov 23 2015 | |||
d7e8881d1577 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Nov 20 2015 | |||
b857237fef0f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14269 f3b2605a-c512-4ea7… | Nov 19 2015 | |||
d30955e5b329 | Axel Kohlmeyer | Determine vendor and release more reliably for newer Fedora releases | Nov 3 2015 | |||
1e9a4cc4b808 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Oct 31 2015 | |||
0aa77408f808 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7… | Oct 30 2015 | |||
01e0beda67a0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7… | Oct 30 2015 | |||
3bbba19e854a | Axel Kohlmeyer | correct bug in cleanup script and update permissions accordingly | Oct 27 2015 | |||
f634a5e14053 | Axel Kohlmeyer | remove executable flag from makefiles | Oct 27 2015 | |||
86948924ca6c | Axel Kohlmeyer | rephrase msi2lmp force field error message | Oct 24 2015 | |||
97cd8b401e07 | Axel Kohlmeyer | update reference data for current version of msi2lmp and LAMMPS | Oct 24 2015 | |||
adfaeadf6376 | Axel Kohlmeyer | add opls-aa test with decane molecules | Oct 24 2015 | |||
104d5890b2e1 | Axel Kohlmeyer | step version number and document changes | Oct 24 2015 | |||
94618089ad2c | Axel Kohlmeyer | add CT-CT-CT-CT torsion parameter to the OPLS/AA force field file | Oct 24 2015 | |||
f19a7fa99ca5 | Axel Kohlmeyer | update RPM build instructions and spec file for Fedora 23 | Oct 16 2015 | |||
8ccb8bfd6668 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 25 2015 | |||
2ed7d366a693 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14057 f3b2605a-c512-4ea7… | Sep 24 2015 | |||
37ed9409a7c2 | Axel Kohlmeyer | do not build pre-compiled packages with hdf5 support for now | Aug 28 2015 | |||
e5f316ecf1f8 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 20 2015 | |||
16eed7a05366 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13902 f3b2605a-c512-4ea7… | Aug 19 2015 | |||
7be9bc38a26c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13900 f3b2605a-c512-4ea7… | Aug 19 2015 | |||
650bc50f5ce9 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 15 2015 | |||
24bf97204bbf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13881 f3b2605a-c512-4ea7… | Aug 14 2015 | |||
51072805199b | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 6 2015 | |||
d7e358c35978 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13833 f3b2605a-c512-4ea7… | Aug 4 2015 | |||
b0dec93ffb44 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13826 f3b2605a-c512-4ea7… | Aug 4 2015 | |||
57ed47000346 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13825 f3b2605a-c512-4ea7… | Aug 4 2015 | |||
6c8830b82800 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 28 2015 | |||
d58afbcc48fa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13730 f3b2605a-c512-4ea7… | Jul 27 2015 | |||
6cb173f5db99 | Axel Kohlmeyer | tweaks for memory info on windws and cross compilation | Jul 16 2015 | |||
b0f70de6f5bf | Axel Kohlmeyer | update handling of PATH environment to no longer kill it if too long | Jun 27 2015 | |||
cfdc159e3920 | Axel Kohlmeyer | where did the intel package examples go? | Jun 16 2015 | |||
4e8b188ad073 | Axel Kohlmeyer | there are no intel examples anymore which breaks cross-compilation | Jun 16 2015 | |||
927ba9de2a5d | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Apr 16 2015 | |||
dce226f16403 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13410 f3b2605a-c512-4ea7… | Apr 14 2015 | |||
4741a42cfe15 | Axel Kohlmeyer | without kokkos we do not need hwloc | Apr 9 2015 | |||
fe18b8739dbf | Axel Kohlmeyer | revert handling of the kokkos package completely | Apr 8 2015 | |||
33e8964da417 | Axel Kohlmeyer | new attempt to fully disable kokkos for now | Apr 8 2015 | |||
cbfba847b41c | Axel Kohlmeyer | KOKKOS is still considered too experimental for production builds | Apr 8 2015 | |||
574c6f01376a | Axel Kohlmeyer | RPM specfile macro magic to select when we can try to include KOKKOS | Apr 7 2015 | |||
45b258605c79 | Axel Kohlmeyer | compile KOKKOS package into lammps for windows. | Apr 7 2015 | |||
9b6d8caf4329 | Axel Kohlmeyer | include high-precision timers for KOKKOS | Apr 7 2015 | |||
09469dd93435 | Axel Kohlmeyer | allow including the OpenMP version of the KOKKOS package | Apr 7 2015 | |||
69aacfb4515c | Axel Kohlmeyer | update scripts and information for building pre-compiled packages | Mar 18 2015 | |||
96b60c7aea9d | Axel Kohlmeyer | adjust spec file for building rpms to handle new master makefile | Mar 13 2015 | |||
0c8505ac3b4c | Axel Kohlmeyer | exclude new USER-QUIP package from build process due to external lib | Feb 25 2015 | |||
31b8f8606c4f | Axel Kohlmeyer | update for OpenSuSE 13.2 | Feb 4 2015 | |||
e1ae2b2e65c9 | Axel Kohlmeyer | more support for static compilation with cross-compiler. | Jan 15 2015 | |||
c8b38c5d45b6 | Axel Kohlmeyer | update of windows installer webpage | Jan 15 2015 | |||
af85b837036b | Axel Kohlmeyer | attempt to link even more libraries statically | Jan 14 2015 | |||
cdbb71e1aaaf | Axel Kohlmeyer | link jpeg, png and zlib statically into windows binaries | Jan 14 2015 | |||
c35a10dfb765 | Axel Kohlmeyer | update for recent OS versions and LAMMPS versions | Jan 12 2015 | |||
fc6be0ef348a | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 12 2015 | |||
d510bb54ef32 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12924 f3b2605a-c512-4ea7… | Jan 9 2015 | |||
b92650b91805 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12922 f3b2605a-c512-4ea7… | Jan 9 2015 | |||
279c39fb4619 | Axel Kohlmeyer | mention that USER-INTEL is excluded as it requires a new intel compiler | Dec 23 2014 | |||
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 |
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