Diffusion lammps (lammps-icms) History

lammps/tools
lammps-icms

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.

May 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11955 f3b2605a-c512-4ea7…
db78f042efe3
·sjplimp on May 9 2014, 17:34.

May 7 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
fc62bdc5cb96
·Axel Kohlmeyer on May 7 2014, 12:50.

May 6 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11915 f3b2605a-c512-4ea7…
4a1807d39739
·sjplimp on May 6 2014, 17:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11914 f3b2605a-c512-4ea7…
acae56ce8245
·sjplimp on May 6 2014, 17:15.

May 3 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
4fbf7105d6be
·Axel Kohlmeyer on May 3 2014, 14:13.

May 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11898 f3b2605a-c512-4ea7…
6883b645faa3
·sjplimp on May 2 2014, 21:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11897 f3b2605a-c512-4ea7…
9a0d1c765b87
·sjplimp on May 2 2014, 21:17.

Apr 18 2014

import USER-FEP package from https://github.com/agiliopadua/compute_fep
69c06791a580
·Axel Kohlmeyer on Apr 18 2014, 20:35.

Apr 11 2014

newer fedora now uses -mpich instead of -mpich2
8cdab4d10f51
·Axel Kohlmeyer on Apr 11 2014, 16:26.

Apr 5 2014

Merge remote branch 'lammps-ro/master' into lammps-icms
20bb47e06a1f
·Axel Kohlmeyer on Apr 5 2014, 12:58.

Apr 4 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11697 f3b2605a-c512-4ea7…
c06854235718
·sjplimp on Apr 4 2014, 18:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11696 f3b2605a-c512-4ea7…
569259e7dc2b
·sjplimp on Apr 4 2014, 18:22.

Mar 20 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
430aed042a86
·Axel Kohlmeyer on Mar 20 2014, 15:50.

Mar 19 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7…
544bf593c501
·sjplimp on Mar 19 2014, 19:26.

Mar 18 2014

small documentation update
e3256bea3f87
·Axel Kohlmeyer on Mar 18 2014, 14:02.

Mar 12 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
573db9e2f7e7
·Axel Kohlmeyer on Mar 12 2014, 22:43.

Mar 10 2014

make writing style hints optional via flag for backward compatibility
c805aa4c6179
·Axel Kohlmeyer on Mar 10 2014, 22:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7…
3f7d79ab82ab
·sjplimp on Mar 10 2014, 15:24.

Mar 7 2014

update data file with pre-style marker versions
d9b8b60b10bd
·Axel Kohlmeyer on Mar 7 2014, 15:02.
have a consistent msi2lmp version string through a define
665464b6815d
·Axel Kohlmeyer on Mar 7 2014, 12:17.
add second test case with triclinic cell
7119cc94b4d6
·Axel Kohlmeyer on Mar 7 2014, 00:08.
bugfix for triclinic cells
3ce3bfea5ecd
·Axel Kohlmeyer on Mar 7 2014, 00:06.

Feb 6 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2fcb0a3e9216
·Axel Kohlmeyer on Feb 6 2014, 13:50.

Feb 5 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11478 f3b2605a-c512-4ea7…
476b6d0e04f2
·sjplimp on Feb 5 2014, 18:45.

Feb 3 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
5be330aa8f9f
·Axel Kohlmeyer on Feb 3 2014, 19:39.
fix a few more cases of incorrect markup
6f99bf9132da
·Axel Kohlmeyer on Feb 3 2014, 05:35.
add colvars tools description and fix markup bugs
d5e0964656e0
·Axel Kohlmeyer on Feb 3 2014, 01:24.

Feb 1 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11447 f3b2605a-c512-4ea7…
a16612ffbee5
·sjplimp on Feb 1 2014, 19:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11434 f3b2605a-c512-4ea7…
ceb4da003907
·sjplimp on Feb 1 2014, 18:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11433 f3b2605a-c512-4ea7…
57b7ebbef002
·sjplimp on Feb 1 2014, 18:15.

Jan 23 2014

update build scripts for rpm and mingw to support MPIIO package
948dc517e299
·Axel Kohlmeyer on Jan 23 2014, 23:47.

Dec 19 2013

include deposit example in precompiled packages
e16dd66358ea
·Axel Kohlmeyer on Dec 19 2013, 17:41.

Dec 16 2013

forgot to extract colvar tools
582b7bdbc681
·Axel Kohlmeyer on Dec 16 2013, 15:08.
include abf_integrate tool from colvars into precompiled packages
dcbf3b993186
·Axel Kohlmeyer on Dec 16 2013, 14:13.
update colvars code to git version as of 2013-12-16
58c693abb681
·Axel Kohlmeyer on Dec 16 2013, 13:51.

Nov 23 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
fb7ecfd4a8cc
·Axel Kohlmeyer on Nov 23 2013, 12:49.

Nov 22 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11046 f3b2605a-c512-4ea7…
930149e5e656
·sjplimp on Nov 22 2013, 18:36.

Nov 20 2013

update for new releases of fedora (20) and opensuse (13.1)
a64f7f239eeb
·Axel Kohlmeyer on Nov 20 2013, 18:14.

Nov 18 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11022 f3b2605a-c512-4ea7…
97fa4aa742c6
·sjplimp on Nov 18 2013, 16:50.
bugfix: tag is int, but image is tagint
e4037e8ab41e
·Axel Kohlmeyer on Nov 18 2013, 00:12.

Nov 9 2013

handle the fact that USER-LB cannot be used without a real MPI library
b22f1876dcd1
·Axel Kohlmeyer on Nov 9 2013, 15:09.

Nov 5 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
dc1278ee51e6
·Axel Kohlmeyer on Nov 5 2013, 13:37.

Nov 4 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10941 f3b2605a-c512-4ea7…
6eac9cb9bc4f
·sjplimp on Nov 4 2013, 18:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10940 f3b2605a-c512-4ea7…
bbeddc892238
·sjplimp on Nov 4 2013, 18:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7…
5f9001a59de0
·sjplimp on Nov 4 2013, 17:59.

Nov 3 2013

adapt for recent changes in LAMMPS-ICMS
e03a6e9fa5f1
·Axel Kohlmeyer on Nov 3 2013, 12:15.
bundle gzip.exe and ffmpeg.exe with our windows packages
6fbcc0b21824
·Axel Kohlmeyer on Nov 3 2013, 03:46.
enable support for gzip and ffmpeg for windows builds. bundle binaries
c400f544f0cd
·Axel Kohlmeyer on Nov 3 2013, 02:52.

Oct 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7…
a886c8450a0f
·sjplimp on Oct 30 2013, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7…
0f1efa0c79d6
·sjplimp on Oct 30 2013, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7…
3285598d8dab
·sjplimp on Oct 30 2013, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7…
5ec1f8057e6d
·sjplimp on Oct 30 2013, 16:38.

Oct 26 2013

add comments indicating the atom type/name string to the output
bf7d7bbbbdb5
·Axel Kohlmeyer on Oct 26 2013, 23:52.
update cross-compilations instructions to include libpng support
950db5826c11
·Axel Kohlmeyer on Oct 26 2013, 22:19.
need to bundle PNG and Zlib runtime with windows installer
ff179765da30
·Axel Kohlmeyer on Oct 26 2013, 22:12.
update rpm build instructions and script for newly added PNG support
823c3f902013
·Axel Kohlmeyer on Oct 26 2013, 21:49.
delete obsolete test input
566bfaa0739f
·Axel Kohlmeyer on Oct 26 2013, 12:13.

Oct 11 2013

prepare build scripts for inclusion of USER-QMMM into LAMMPS-ICMS
4f7278987022
·Axel Kohlmeyer on Oct 11 2013, 16:37.

Oct 9 2013

need to clean up before building msi2lmp or else the 64-bit build will fail
e4ed2c2804f4
·Axel Kohlmeyer on Oct 9 2013, 13:50.

Oct 8 2013

added new test case for class1 and class2
7c2fee933eca
·Axel Kohlmeyer on Oct 8 2013, 18:34.
add contributed parameters
e8653aaafdca
·Axel Kohlmeyer on Oct 8 2013, 18:33.
update version number in written data file
db31687e64ab
·Axel Kohlmeyer on Oct 8 2013, 18:33.
msi2lmp bugfix and cleanup
05dd9fe9fb5d
·Axel Kohlmeyer on Oct 8 2013, 15:57.

Sep 24 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
0fad40b8188e
·Axel Kohlmeyer on Sep 24 2013, 13:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10833 f3b2605a-c512-4ea7…
8334d6123dce
·sjplimp on Sep 24 2013, 00:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10832 f3b2605a-c512-4ea7…
0724cdd4b6ad
·sjplimp on Sep 24 2013, 00:47.

Sep 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10826 f3b2605a-c512-4ea7…
41356b5eed3b
·sjplimp on Sep 23 2013, 22:03.

Sep 21 2013

fix typo
32c0368d93ee
·Axel Kohlmeyer on Sep 21 2013, 16:48.
fix incorrect path
d990ab28df33
·Axel Kohlmeyer on Sep 21 2013, 16:35.
include createatoms in binary packages
b1a183ffa6ed
·Axel Kohlmeyer on Sep 21 2013, 16:22.
make lammpsplot tool more portable
b4276126b7a8
·Axel Kohlmeyer on Sep 21 2013, 15:42.
Merge remote branch 'lammps-ro/master' into lammps-icms
98f3a87b0bb1
·Axel Kohlmeyer on Sep 21 2013, 14:40.

Sep 20 2013

Added xmgrace folder
5302ad50d7de
·athomps on Sep 20 2013, 18:45.
Added xmgrace folder
09c9148250af
·athomps on Sep 20 2013, 18:20.

Sep 16 2013

include new example directories into distribution
c3867f51ad20
·Axel Kohlmeyer on Sep 16 2013, 14:52.

Sep 13 2013

include new advanced examples into distribution
34e990cd8f1d
·Axel Kohlmeyer on Sep 13 2013, 12:51.

Sep 11 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8affd9162df9
·Axel Kohlmeyer on Sep 11 2013, 16:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10755 f3b2605a-c512-4ea7…
14df2cfca11f
·sjplimp on Sep 11 2013, 01:41.

Sep 8 2013

fix compilation of xmovie on fedora 19
1f6ec6d82c47
·Axel Kohlmeyer on Sep 8 2013, 07:50.

Aug 26 2013

add forgotten %endif
15d40dffa57a
·Axel Kohlmeyer on Aug 26 2013, 19:34.
add support for newer MPICH packages on FC18/19 (v2.x vs. v3.x)
1ff5b2487a55
·Axel Kohlmeyer on Aug 26 2013, 19:23.

Aug 24 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2da0db319c38
·Axel Kohlmeyer on Aug 24 2013, 12:35.

Aug 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10663 f3b2605a-c512-4ea7…
2ea115cfc2ec
·sjplimp on Aug 23 2013, 16:31.

lammps/toolslammps-icms

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

May 9 2014

May 7 2014

May 6 2014

May 3 2014

May 2 2014

Apr 18 2014

Apr 11 2014

Apr 5 2014

Apr 4 2014

Mar 20 2014

Mar 19 2014

Mar 18 2014

Mar 12 2014

Mar 10 2014

Mar 7 2014

Feb 6 2014

Feb 5 2014

Feb 3 2014

Feb 1 2014

Jan 23 2014

Dec 19 2013

Dec 16 2013

Nov 23 2013

Nov 22 2013

Nov 20 2013

Nov 18 2013

Nov 9 2013

Nov 5 2013

Nov 4 2013

Nov 3 2013

Oct 30 2013

Oct 26 2013

Oct 11 2013

Oct 9 2013

Oct 8 2013

Sep 24 2013

Sep 23 2013

Sep 21 2013

Sep 20 2013

Sep 16 2013

Sep 13 2013

Sep 11 2013

Sep 8 2013

Aug 26 2013

Aug 24 2013

Aug 23 2013

lammps/tools
lammps-icms