Diffusion lammps (lammm-master-deprecated) History

lammps/tools
lammm-master-deprecated874bd68cd12fb527538c5d0…

Mar 8 2016

remove bogus include and fix path separator bug
ec96d05bc174
·Axel Kohlmeyer on Mar 8 2016, 13:34.
rewrite fastdep in C, some optimizations added and windows compatibility(?)
f5d7fdd19a73
·Axel Kohlmeyer on Mar 8 2016, 13:18.

Mar 6 2016

use the new fastdep tool for dependencies
749ac0560f7e
·Axel Kohlmeyer on Mar 6 2016, 16:55.

Feb 27 2016

adapt mkdep.c for building LAMMPS
41d65eedf498
·Axel Kohlmeyer on Feb 27 2016, 15:58.
import mkdep.c from the linux 2.4 kernel source
ee999707937c
·Axel Kohlmeyer on Feb 27 2016, 15:09.

Feb 6 2016

fix typo in excluding user-vtk
5a53d7be5167
·Axel Kohlmeyer on Feb 6 2016, 15:36.
exclude user-vtk from package builds
fb6fbe8c8372
·Axel Kohlmeyer on Feb 6 2016, 15:23.

Jan 15 2016

add message about changes
7e1972ef8bd1
·Axel Kohlmeyer on Jan 15 2016, 04:41.
add a warning, if parameters for nonbonded are missing.
a1e6d7d24fd9
·Axel Kohlmeyer on Jan 15 2016, 04:33.
support marker IMPROPERS in addition to IMPROPER
dc4012974610
·Axel Kohlmeyer on Jan 15 2016, 01:20.

Jan 3 2016

added new (fast/small) test example for PCFF with ignore flag set
f5cf3008dd79
·Axel Kohlmeyer on Jan 3 2016, 22:21.

Dec 16 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1aeecfb0cfcf
·Axel Kohlmeyer on Dec 16 2015, 13:31.

Dec 15 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7…
074d5962c8c6
·sjplimp on Dec 15 2015, 16:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14366 f3b2605a-c512-4ea7…
5f802f86b54f
·sjplimp on Dec 15 2015, 16:59.

Nov 23 2015

update webpages for recent changes and newly supported distributions
b1df2f770556
·Axel Kohlmeyer on Nov 23 2015, 22:35.

Nov 20 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
d7e8881d1577
·Axel Kohlmeyer on Nov 20 2015, 12:52.

Nov 19 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14269 f3b2605a-c512-4ea7…
b857237fef0f
·sjplimp on Nov 19 2015, 16:34.

Nov 3 2015

Determine vendor and release more reliably for newer Fedora releases
d30955e5b329
·Axel Kohlmeyer on Nov 3 2015, 23:31.

Oct 31 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1e9a4cc4b808
·Axel Kohlmeyer on Oct 31 2015, 15:54.

Oct 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7…
0aa77408f808
·sjplimp on Oct 30 2015, 20:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7…
01e0beda67a0
·sjplimp on Oct 30 2015, 20:44.

Oct 27 2015

correct bug in cleanup script and update permissions accordingly
3bbba19e854a
·Axel Kohlmeyer on Oct 27 2015, 12:07.
remove executable flag from makefiles
f634a5e14053
·Axel Kohlmeyer on Oct 27 2015, 03:41.

Oct 24 2015

rephrase msi2lmp force field error message
86948924ca6c
·Axel Kohlmeyer on Oct 24 2015, 07:20.
update reference data for current version of msi2lmp and LAMMPS
97cd8b401e07
·Axel Kohlmeyer on Oct 24 2015, 07:15.
add opls-aa test with decane molecules
adfaeadf6376
·Axel Kohlmeyer on Oct 24 2015, 06:55.
step version number and document changes
104d5890b2e1
·Axel Kohlmeyer on Oct 24 2015, 06:53.
add CT-CT-CT-CT torsion parameter to the OPLS/AA force field file
94618089ad2c
·Axel Kohlmeyer on Oct 24 2015, 05:31.

Oct 16 2015

update RPM build instructions and spec file for Fedora 23
f19a7fa99ca5
·Axel Kohlmeyer on Oct 16 2015, 21:27.

Sep 25 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8ccb8bfd6668
·Axel Kohlmeyer on Sep 25 2015, 15:52.

Sep 24 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14057 f3b2605a-c512-4ea7…
2ed7d366a693
·sjplimp on Sep 24 2015, 22:16.

Aug 28 2015

do not build pre-compiled packages with hdf5 support for now
37ed9409a7c2
·Axel Kohlmeyer on Aug 28 2015, 20:50.

Aug 20 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e5f316ecf1f8
·Axel Kohlmeyer on Aug 20 2015, 13:42.

Aug 19 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13902 f3b2605a-c512-4ea7…
16eed7a05366
·sjplimp on Aug 19 2015, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13900 f3b2605a-c512-4ea7…
7be9bc38a26c
·sjplimp on Aug 19 2015, 16:33.

Aug 15 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
650bc50f5ce9
·Axel Kohlmeyer on Aug 15 2015, 12:53.

Aug 14 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13881 f3b2605a-c512-4ea7…
24bf97204bbf
·sjplimp on Aug 14 2015, 16:56.

Aug 6 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
51072805199b
·Axel Kohlmeyer on Aug 6 2015, 06:51.

Aug 4 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13833 f3b2605a-c512-4ea7…
d7e358c35978
·sjplimp on Aug 4 2015, 22:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13826 f3b2605a-c512-4ea7…
b0dec93ffb44
·sjplimp on Aug 4 2015, 20:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13825 f3b2605a-c512-4ea7…
57ed47000346
·sjplimp on Aug 4 2015, 20:48.

Jul 28 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
6c8830b82800
·Axel Kohlmeyer on Jul 28 2015, 19:26.

Jul 27 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13730 f3b2605a-c512-4ea7…
d58afbcc48fa
·sjplimp on Jul 27 2015, 16:58.

Jul 16 2015

tweaks for memory info on windws and cross compilation
6cb173f5db99
·Axel Kohlmeyer on Jul 16 2015, 23:20.

Jun 27 2015

update handling of PATH environment to no longer kill it if too long
b0f70de6f5bf
·Axel Kohlmeyer on Jun 27 2015, 21:22.

Jun 16 2015

where did the intel package examples go?
cfdc159e3920
·Axel Kohlmeyer on Jun 16 2015, 22:25.
there are no intel examples anymore which breaks cross-compilation
4e8b188ad073
·Axel Kohlmeyer on Jun 16 2015, 21:19.

Apr 16 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
927ba9de2a5d
·Axel Kohlmeyer on Apr 16 2015, 03:51.

Apr 14 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13410 f3b2605a-c512-4ea7…
dce226f16403
·sjplimp on Apr 14 2015, 16:18.

Apr 9 2015

without kokkos we do not need hwloc
4741a42cfe15
·Axel Kohlmeyer on Apr 9 2015, 00:01.

Apr 8 2015

revert handling of the kokkos package completely
fe18b8739dbf
·Axel Kohlmeyer on Apr 8 2015, 23:19.
new attempt to fully disable kokkos for now
33e8964da417
·Axel Kohlmeyer on Apr 8 2015, 22:59.
KOKKOS is still considered too experimental for production builds
cbfba847b41c
·Axel Kohlmeyer on Apr 8 2015, 00:19.

Apr 7 2015

RPM specfile macro magic to select when we can try to include KOKKOS
574c6f01376a
·Axel Kohlmeyer on Apr 7 2015, 22:22.
compile KOKKOS package into lammps for windows.
45b258605c79
·Axel Kohlmeyer on Apr 7 2015, 21:30.
include high-precision timers for KOKKOS
9b6d8caf4329
·Axel Kohlmeyer on Apr 7 2015, 11:25.
allow including the OpenMP version of the KOKKOS package
09469dd93435
·Axel Kohlmeyer on Apr 7 2015, 03:42.

Mar 18 2015

update scripts and information for building pre-compiled packages
69aacfb4515c
·Axel Kohlmeyer on Mar 18 2015, 20:14.

Mar 13 2015

adjust spec file for building rpms to handle new master makefile
96b60c7aea9d
·Axel Kohlmeyer on Mar 13 2015, 19:36.

Feb 25 2015

exclude new USER-QUIP package from build process due to external lib
0c8505ac3b4c
·Axel Kohlmeyer on Feb 25 2015, 23:22.

Feb 4 2015

update for OpenSuSE 13.2
31b8f8606c4f
·Axel Kohlmeyer on Feb 4 2015, 21:04.

Jan 15 2015

more support for static compilation with cross-compiler.
e1ae2b2e65c9
·Axel Kohlmeyer on Jan 15 2015, 22:27.
update of windows installer webpage
c8b38c5d45b6
·Axel Kohlmeyer on Jan 15 2015, 19:39.

Jan 14 2015

attempt to link even more libraries statically
af85b837036b
·Axel Kohlmeyer on Jan 14 2015, 23:06.
link jpeg, png and zlib statically into windows binaries
cdbb71e1aaaf
·Axel Kohlmeyer on Jan 14 2015, 22:45.

Jan 12 2015

update for recent OS versions and LAMMPS versions
c35a10dfb765
·Axel Kohlmeyer on Jan 12 2015, 23:24.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
fc6be0ef348a
·Axel Kohlmeyer on Jan 12 2015, 16:02.

Jan 9 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12924 f3b2605a-c512-4ea7…
d510bb54ef32
·sjplimp on Jan 9 2015, 18:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12922 f3b2605a-c512-4ea7…
b92650b91805
·sjplimp on Jan 9 2015, 17:58.

Dec 23 2014

mention that USER-INTEL is excluded as it requires a new intel compiler
279c39fb4619
·Axel Kohlmeyer on Dec 23 2014, 16:03.
have to disable user-intel from RPM builds since requires intel compiler
11533ea7590e
·Axel Kohlmeyer on Dec 23 2014, 14:30.

Nov 26 2014

update status message
e0aab3f64fb3
·Axel Kohlmeyer on Nov 26 2014, 21:33.

Nov 25 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
475aa20270a7
·Axel Kohlmeyer on Nov 25 2014, 21:01.

Nov 24 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12771 f3b2605a-c512-4ea7…
b2e008ee04e4
·sjplimp on Nov 24 2014, 18:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12769 f3b2605a-c512-4ea7…
997f7a8845a2
·sjplimp on Nov 24 2014, 18:02.

Nov 21 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
72bf576c1a67
·Axel Kohlmeyer on Nov 21 2014, 16:05.

Nov 20 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12750 f3b2605a-c512-4ea7…
3a10de35be68
·sjplimp on Nov 20 2014, 17:08.

Oct 29 2014

fix file handle leak
1c8a91295701
·Axel Kohlmeyer on Oct 29 2014, 21:15.
safer parsing of force field data
e5aebaf21269
·Axel Kohlmeyer on Oct 29 2014, 21:15.

Sep 26 2014

update build scripts for steve's make system updates
838ca5f5d3f2
·Axel Kohlmeyer on Sep 26 2014, 22:01.
adjusted rpm building README for CentOS 7
63314dc5bf34
·Axel Kohlmeyer on Sep 26 2014, 19:38.

Sep 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7…
89c7a5df328b
·sjplimp on Sep 12 2014, 16:13.
add test case for larger system names
60d5b70bdd0b
·Axel Kohlmeyer on Sep 12 2014, 09:30.

Sep 11 2014

refactored MDF file reader in msi2lmp to handle long names consistently
faa059f09792
·Axel Kohlmeyer on Sep 11 2014, 19:11.

Sep 6 2014

update list of examples for pre-compiled packages
d631b1742adb
·Axel Kohlmeyer on Sep 6 2014, 18:31.

Aug 19 2014

we cannot build USER-INTEL for windows at the moment, since it doesn't support…
5cacfdbdf873
·Axel Kohlmeyer on Aug 19 2014, 20:50.
update settings so one can compile LAMMPS for windows with USER-INTEL
069ee603757b
·Axel Kohlmeyer on Aug 19 2014, 20:44.
request aligned memory for compatibility with USER-INTEL
c3dd8b9e32c4
·Axel Kohlmeyer on Aug 19 2014, 16:28.
need to request 64-byte memory alignment to be compatible with USER-INTEL
d2502b791463
·Axel Kohlmeyer on Aug 19 2014, 16:25.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
39a94bfbdca2
·Axel Kohlmeyer on Aug 19 2014, 15:48.

Aug 13 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12303 f3b2605a-c512-4ea7…
7e3fd44a0b9b
·sjplimp on Aug 13 2014, 16:04.

Jul 7 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1c6cac8ae570
·Axel Kohlmeyer on Jul 7 2014, 03:57.

Jul 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12168 f3b2605a-c512-4ea7…
0553f4af2b94
·sjplimp on Jul 2 2014, 16:30.

Jun 25 2014

mention lack of KOKKOS support
7ad7147e83ba
·Axel Kohlmeyer on Jun 25 2014, 21:48.
disable KOKKOS from pre-compiled packages.
71ed5e51d2f1
·Axel Kohlmeyer on Jun 25 2014, 21:44.

May 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7…
4e3bc9d059a9
·sjplimp on May 30 2014, 15:48.

May 28 2014

implement force style hints for coefficient entries a la topotools
fe52a042a365
·Axel Kohlmeyer on May 28 2014, 00:02.

May 16 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
21c6f77ac174
·Axel Kohlmeyer on May 16 2014, 16:38.

May 15 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11995 f3b2605a-c512-4ea7…
474a7279e252
·sjplimp on May 15 2014, 15:23.

May 10 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
24fb679e5579
·Axel Kohlmeyer on May 10 2014, 23:15.

lammps/toolslammm-master-deprecated874bd68cd12fb527538c5d0…

Mar 8 2016

Mar 6 2016

Feb 27 2016

Feb 6 2016

Jan 15 2016

Jan 3 2016

Dec 16 2015

Dec 15 2015

Nov 23 2015

Nov 20 2015

Nov 19 2015

Nov 3 2015

Oct 31 2015

Oct 30 2015

Oct 27 2015

Oct 24 2015

Oct 16 2015

Sep 25 2015

Sep 24 2015

Aug 28 2015

Aug 20 2015

Aug 19 2015

Aug 15 2015

Aug 14 2015

Aug 6 2015

Aug 4 2015

Jul 28 2015

Jul 27 2015

Jul 16 2015

Jun 27 2015

Jun 16 2015

Apr 16 2015

Apr 14 2015

Apr 9 2015

Apr 8 2015

Apr 7 2015

Mar 18 2015

Mar 13 2015

Feb 25 2015

Feb 4 2015

Jan 15 2015

Jan 14 2015

Jan 12 2015

Jan 9 2015

Dec 23 2014

Nov 26 2014

Nov 25 2014

Nov 24 2014

Nov 21 2014

Nov 20 2014

Oct 29 2014

Sep 26 2014

Sep 12 2014

Sep 11 2014

Sep 6 2014

Aug 19 2014

Aug 13 2014

Jul 7 2014

Jul 2 2014

Jun 25 2014

May 30 2014

May 28 2014

May 16 2014

May 15 2014

May 10 2014

lammps/tools
lammm-master-deprecated874bd68cd12fb527538c5d0…