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Diffusion lammps (lammps-icms) Graph

lammps/tools
lammps-icms

History Graph

CommitAuthorDetailsCommitted
6a199236de91Axel Kohlmeyer
Needed to add some ugly hack in order to handle non-ASCII characters in both… 
Aug 28 2016
afd94e2d3bcbAxel Kohlmeyer
add more comments, use correct PR submitter, some cleanup 
Aug 28 2016
9a05bdd795b2Axel Kohlmeyer
apply utf-8 encoding to json data received from github. some comments. 
Aug 28 2016
6bc46748788fAxel Kohlmeyer
made the detection of pull request assignees more robust 
Aug 28 2016
de3e324f7e40Axel Kohlmeyer
change default to verbose for pending-pulls.py script 
Aug 27 2016
485a86b4bb46Axel Kohlmeyer
add python script allowing steve to poll and process pending pull requests from… 
Aug 27 2016
fa23218aa8ddAxel Kohlmeyer
update ch2lmp README for recent changes and strip trailing whitespace 
Jun 13 2016
111777c6f68bAxel Kohlmeyer
Fix off-by-one bug reported on lammps-users 
Jun 13 2016
7b8a96ee8cefAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 1 2016
d7c50255302fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7… 
May 31 2016
95e2ada933bdAxel Kohlmeyer
do not try to extract removed folders 
May 12 2016
e8653342d8b2Axel Kohlmeyer
update scripts for precompiled packages for new doc structure 
May 11 2016
f3e746d501d6Axel Kohlmeyer
redo suppressions for valgrind 
Apr 27 2016
2a8c1add904aAxel Kohlmeyer
disable building delta rpms 
Apr 13 2016
739b14fae00fAxel Kohlmeyer
remove obsolete code 
Mar 11 2016
bce9b641f44eAxel Kohlmeyer
remove duplicate copy of fastdep tool. 
Mar 11 2016
ec96d05bc174Axel Kohlmeyer
remove bogus include and fix path separator bug 
Mar 8 2016
f5d7fdd19a73Axel Kohlmeyer
rewrite fastdep in C, some optimizations added and windows compatibility(?) 
Mar 8 2016
749ac0560f7eAxel Kohlmeyer
use the new fastdep tool for dependencies 
Mar 6 2016
41d65eedf498Axel Kohlmeyer
adapt mkdep.c for building LAMMPS 
Feb 27 2016
ee999707937cAxel Kohlmeyer
import mkdep.c from the linux 2.4 kernel source 
Feb 27 2016
5a53d7be5167Axel Kohlmeyer
fix typo in excluding user-vtk 
Feb 6 2016
fb6fbe8c8372Axel Kohlmeyer
exclude user-vtk from package builds 
Feb 6 2016
bfa988207ef5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14448 f3b2605a-c512-4ea7… 
Jan 15 2016
7e1972ef8bd1Axel Kohlmeyer
add message about changes 
Jan 15 2016
a1e6d7d24fd9Axel Kohlmeyer
add a warning, if parameters for nonbonded are missing. 
Jan 15 2016
dc4012974610Axel Kohlmeyer
support marker IMPROPERS in addition to IMPROPER 
Jan 15 2016
f5cf3008dd79Axel Kohlmeyer
added new (fast/small) test example for PCFF with ignore flag set 
Jan 3 2016
1aeecfb0cfcfAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 16 2015
074d5962c8c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7… 
Dec 15 2015
5f802f86b54fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14366 f3b2605a-c512-4ea7… 
Dec 15 2015
b1df2f770556Axel Kohlmeyer
update webpages for recent changes and newly supported distributions 
Nov 23 2015
d7e8881d1577Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 20 2015
b857237fef0fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14269 f3b2605a-c512-4ea7… 
Nov 19 2015
d30955e5b329Axel Kohlmeyer
Determine vendor and release more reliably for newer Fedora releases 
Nov 3 2015
1e9a4cc4b808Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 31 2015
0aa77408f808sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7… 
Oct 30 2015
01e0beda67a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7… 
Oct 30 2015
3bbba19e854aAxel Kohlmeyer
correct bug in cleanup script and update permissions accordingly 
Oct 27 2015
f634a5e14053Axel Kohlmeyer
remove executable flag from makefiles 
Oct 27 2015
86948924ca6cAxel Kohlmeyer
rephrase msi2lmp force field error message 
Oct 24 2015
97cd8b401e07Axel Kohlmeyer
update reference data for current version of msi2lmp and LAMMPS 
Oct 24 2015
adfaeadf6376Axel Kohlmeyer
add opls-aa test with decane molecules 
Oct 24 2015
104d5890b2e1Axel Kohlmeyer
step version number and document changes 
Oct 24 2015
94618089ad2cAxel Kohlmeyer
add CT-CT-CT-CT torsion parameter to the OPLS/AA force field file 
Oct 24 2015
f19a7fa99ca5Axel Kohlmeyer
update RPM build instructions and spec file for Fedora 23 
Oct 16 2015
8ccb8bfd6668Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 25 2015
2ed7d366a693sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14057 f3b2605a-c512-4ea7… 
Sep 24 2015
37ed9409a7c2Axel Kohlmeyer
do not build pre-compiled packages with hdf5 support for now 
Aug 28 2015
e5f316ecf1f8Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 20 2015
16eed7a05366sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13902 f3b2605a-c512-4ea7… 
Aug 19 2015
7be9bc38a26csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13900 f3b2605a-c512-4ea7… 
Aug 19 2015
650bc50f5ce9Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 15 2015
24bf97204bbfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13881 f3b2605a-c512-4ea7… 
Aug 14 2015
51072805199bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 6 2015
d7e358c35978sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13833 f3b2605a-c512-4ea7… 
Aug 4 2015
b0dec93ffb44sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13826 f3b2605a-c512-4ea7… 
Aug 4 2015
57ed47000346sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13825 f3b2605a-c512-4ea7… 
Aug 4 2015
6c8830b82800Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 28 2015
d58afbcc48fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13730 f3b2605a-c512-4ea7… 
Jul 27 2015
6cb173f5db99Axel Kohlmeyer
tweaks for memory info on windws and cross compilation 
Jul 16 2015
b0f70de6f5bfAxel Kohlmeyer
update handling of PATH environment to no longer kill it if too long 
Jun 27 2015
cfdc159e3920Axel Kohlmeyer
where did the intel package examples go? 
Jun 16 2015
4e8b188ad073Axel Kohlmeyer
there are no intel examples anymore which breaks cross-compilation 
Jun 16 2015
927ba9de2a5dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 16 2015
dce226f16403sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13410 f3b2605a-c512-4ea7… 
Apr 14 2015
4741a42cfe15Axel Kohlmeyer
without kokkos we do not need hwloc 
Apr 9 2015
fe18b8739dbfAxel Kohlmeyer
revert handling of the kokkos package completely 
Apr 8 2015
33e8964da417Axel Kohlmeyer
new attempt to fully disable kokkos for now 
Apr 8 2015
cbfba847b41cAxel Kohlmeyer
KOKKOS is still considered too experimental for production builds 
Apr 8 2015
574c6f01376aAxel Kohlmeyer
RPM specfile macro magic to select when we can try to include KOKKOS 
Apr 7 2015
45b258605c79Axel Kohlmeyer
compile KOKKOS package into lammps for windows. 
Apr 7 2015
9b6d8caf4329Axel Kohlmeyer
include high-precision timers for KOKKOS 
Apr 7 2015
09469dd93435Axel Kohlmeyer
allow including the OpenMP version of the KOKKOS package 
Apr 7 2015
69aacfb4515cAxel Kohlmeyer
update scripts and information for building pre-compiled packages 
Mar 18 2015
96b60c7aea9dAxel Kohlmeyer
adjust spec file for building rpms to handle new master makefile 
Mar 13 2015
0c8505ac3b4cAxel Kohlmeyer
exclude new USER-QUIP package from build process due to external lib 
Feb 25 2015
31b8f8606c4fAxel Kohlmeyer
update for OpenSuSE 13.2 
Feb 4 2015
e1ae2b2e65c9Axel Kohlmeyer
more support for static compilation with cross-compiler. 
Jan 15 2015
c8b38c5d45b6Axel Kohlmeyer
update of windows installer webpage 
Jan 15 2015
af85b837036bAxel Kohlmeyer
attempt to link even more libraries statically 
Jan 14 2015
cdbb71e1aaafAxel Kohlmeyer
link jpeg, png and zlib statically into windows binaries 
Jan 14 2015
c35a10dfb765Axel Kohlmeyer
update for recent OS versions and LAMMPS versions 
Jan 12 2015
fc6be0ef348aAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 12 2015
d510bb54ef32sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12924 f3b2605a-c512-4ea7… 
Jan 9 2015
b92650b91805sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12922 f3b2605a-c512-4ea7… 
Jan 9 2015
279c39fb4619Axel Kohlmeyer
mention that USER-INTEL is excluded as it requires a new intel compiler 
Dec 23 2014
11533ea7590eAxel Kohlmeyer
have to disable user-intel from RPM builds since requires intel compiler 
Dec 23 2014
e0aab3f64fb3Axel Kohlmeyer
update status message 
Nov 26 2014
475aa20270a7Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 25 2014
b2e008ee04e4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12771 f3b2605a-c512-4ea7… 
Nov 24 2014
997f7a8845a2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12769 f3b2605a-c512-4ea7… 
Nov 24 2014
72bf576c1a67Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 21 2014
3a10de35be68sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12750 f3b2605a-c512-4ea7… 
Nov 20 2014
1c8a91295701Axel Kohlmeyer
fix file handle leak 
Oct 29 2014
e5aebaf21269Axel Kohlmeyer
safer parsing of force field data 
Oct 29 2014
838ca5f5d3f2Axel Kohlmeyer
update build scripts for steve's make system updates 
Sep 26 2014
63314dc5bf34Axel Kohlmeyer
adjusted rpm building README for CentOS 7 
Sep 26 2014
89c7a5df328bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7… 
Sep 12 2014
60d5b70bdd0bAxel Kohlmeyer
add test case for larger system names 
Sep 12 2014
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