Diffusion lammps (lammm-master) History

USER-OMP
lammm-masterb0ffa46a3bb994e3fe0c157…

Aug 10 2014

delete unused variables and reduce compiler warnings
1093ff46f185
·Axel Kohlmeyer on Aug 10 2014, 02:23.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
4c79bce7f1cb
·Axel Kohlmeyer on Aug 10 2014, 02:10.

Aug 8 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7…
c1e12f950867
·sjplimp on Aug 8 2014, 19:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7…
9026afed5cf9
·sjplimp on Aug 8 2014, 16:25.

Aug 5 2014

add test for invalid box dimension to demystify PPPM out of range errors
a67fb36bab47
·Axel Kohlmeyer on Aug 5 2014, 18:10.

Jul 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7…
fe1ade5fad2b
·sjplimp on Jul 30 2014, 16:59.

Jul 1 2014

transfer changes from upstream to USER-OMP version
a44e538ac67f
·Axel Kohlmeyer on Jul 1 2014, 18:50.

Jun 15 2014

Merge branch 'patch_14_06_2014' into lammps-icms
bcec3c56e45e
·Axel Kohlmeyer on Jun 15 2014, 13:25.
anticipate 14 June 2014 patch
598be75009d2
·Axel Kohlmeyer on Jun 15 2014, 13:19.

Jun 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12127 f3b2605a-c512-4ea7…
3f98c4d07662
·sjplimp on Jun 14 2014, 00:03.

May 22 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12010 f3b2605a-c512-4ea7…
e8ec5114a9e5
·sjplimp on May 22 2014, 15:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12009 f3b2605a-c512-4ea7…
ffd2b394712e
·sjplimp on May 22 2014, 15:58.
properly implement optimized version of lj/charmm/coul/long/soft
e60487065649
·Axel Kohlmeyer on May 22 2014, 00:44.

May 21 2014

energy calculation was wrong in the last commit. fixed it.
c1e8a7b16d04
·Axel Kohlmeyer on May 21 2014, 23:37.
bugfix and cleanup for lj/charmm/coul/long/omp
3afe9d6aedfa
·Axel Kohlmeyer on May 21 2014, 23:24.
import new files for USER-FEP and /omp version.
e222e8b16c1b
·Axel Kohlmeyer on May 21 2014, 17:00.

May 19 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12003 f3b2605a-c512-4ea7…
23892d4fc5bf
·sjplimp on May 19 2014, 18:29.

May 14 2014

fix compile errors/warnings introduced by may 13 patch
1d825a887cb6
·Axel Kohlmeyer on May 14 2014, 13:56.

May 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7…
a93cebcc2d06
·sjplimp on May 9 2014, 17:33.

May 8 2014

big dead code cleanup of comb3 pair style
55365522a988
·Axel Kohlmeyer on May 8 2014, 21:08.

May 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7…
8bee4ef5966a
·sjplimp on May 2 2014, 23:49.

Apr 30 2014

fix problems flagged by compiler warnings
0e4643fc5925
·Axel Kohlmeyer on Apr 30 2014, 22:21.
next batch of code cleanup based on compiler warnings
0fbda306f930
·Axel Kohlmeyer on Apr 30 2014, 14:08.

Apr 29 2014

another round of removing unused variables
e6c72491430d
·Axel Kohlmeyer on Apr 29 2014, 19:01.

Apr 21 2014

add multi-threaded versions of the USER-FEP package
ee041356397a
·Axel Kohlmeyer on Apr 21 2014, 23:17.
get rid of compiler warnings when compiling w/o OpenMP
e0256a6447d2
·Axel Kohlmeyer on Apr 21 2014, 21:13.

Apr 19 2014

eliminate dead code in newly added features
ac5b911e5e4f
·Axel Kohlmeyer on Apr 19 2014, 13:15.

Apr 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7…
f461504c9398
·sjplimp on Apr 18 2014, 17:25.
some more dead code removal. number of warnings getting small now
ee04f975b3da
·Axel Kohlmeyer on Apr 18 2014, 14:35.

Apr 16 2014

next batch of unused variable removal
9374001aadd4
·Axel Kohlmeyer on Apr 16 2014, 22:36.
some more cleanups based on warnings from newer gcc
492e027896e6
·Axel Kohlmeyer on Apr 16 2014, 21:53.

Apr 15 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7…
1fac1d41fa78
·sjplimp on Apr 15 2014, 17:24.

Apr 13 2014

handle parenthesis to signal assigment warning for manybody potentials
4b2476a4fd7f
·Axel Kohlmeyer on Apr 13 2014, 20:29.
another set of dead code removal
5f4db57b19c4
·Axel Kohlmeyer on Apr 13 2014, 04:03.

Apr 12 2014

spelling fix
d7bbb795fff0
·Axel Kohlmeyer on Apr 12 2014, 18:44.
remove even more unused variables and have consistent initialization
323e3075c413
·Axel Kohlmeyer on Apr 12 2014, 18:39.

Apr 11 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7…
09168613150e
·sjplimp on Apr 11 2014, 16:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11775 f3b2605a-c512-4ea7…
1b6af8196fc1
·sjplimp on Apr 11 2014, 16:41.
implement changes that follow the equivalent files in upstream
4d46b70ccea8
·Axel Kohlmeyer on Apr 11 2014, 13:01.

Apr 10 2014

silence some more compiler warnings
c5af763730fb
·Axel Kohlmeyer on Apr 10 2014, 19:42.
various little cleanups to silence compiler warnings
5fcfc9f575fc
·Axel Kohlmeyer on Apr 10 2014, 18:21.
Merge remote branch 'lammps-ro/master' into lammps-icms
5bb50f88412a
·Axel Kohlmeyer on Apr 10 2014, 13:24.

Apr 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11746 f3b2605a-c512-4ea7…
5e0b58212ea2
·sjplimp on Apr 9 2014, 16:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11745 f3b2605a-c512-4ea7…
cd3dbc40fd24
·sjplimp on Apr 9 2014, 16:28.
more explicit error message to state incompatibility of COMB3 with USER-OMP
8bf5d7181746
·Axel Kohlmeyer on Apr 9 2014, 13:52.

Apr 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11725 f3b2605a-c512-4ea7…
17998fc55a0d
·sjplimp on Apr 7 2014, 21:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11722 f3b2605a-c512-4ea7…
2f7b90b868d1
·sjplimp on Apr 7 2014, 16:34.

Apr 5 2014

make pair style tersoff/table/omp thread safe
9ca0fa9029be
·Axel Kohlmeyer on Apr 5 2014, 23:13.
need to use thread-safe accumulator for collecting pair energy
fb8250afd705
·Axel Kohlmeyer on Apr 5 2014, 22:07.
silence some warnings and make code more obvious
1772fc673967
·Axel Kohlmeyer on Apr 5 2014, 21:39.

Apr 4 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11702 f3b2605a-c512-4ea7…
ce9b5d2f3fa3
·sjplimp on Apr 4 2014, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7…
0de9e4252ba7
·sjplimp on Apr 4 2014, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11700 f3b2605a-c512-4ea7…
1646c124b1c3
·sjplimp on Apr 4 2014, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11699 f3b2605a-c512-4ea7…
3e9c22df2465
·sjplimp on Apr 4 2014, 18:32.

Apr 2 2014

update comment
34389413124e
·Axel Kohlmeyer on Apr 2 2014, 20:24.
fix bugs introduced when maxtouch was made dynamic
b46de6ef1dbf
·Axel Kohlmeyer on Apr 2 2014, 14:56.

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@11646 f3b2605a-c512-4ea7…
d54bd651a3d1
·sjplimp on Mar 19 2014, 20:00.

Feb 27 2014

reinstate code that needed to be deleted in upstream only
7ed4a5d48a5f
·Axel Kohlmeyer on Feb 27 2014, 12:59.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
53fef3f3a372
·Axel Kohlmeyer on Feb 27 2014, 12:58.

Feb 26 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11578 f3b2605a-c512-4ea7…
1f01bb69b998
·sjplimp on Feb 26 2014, 17:10.

Feb 17 2014

undo bogus bugfix that unfixes a bugfix
2707ba954766
·Axel Kohlmeyer on Feb 17 2014, 13:53.
report OpenMP bug reported in msm/omp
83de2a63b679
·Axel Kohlmeyer on Feb 17 2014, 13:39.

Feb 14 2014

move open_potential() from pair.cpp to force.cpp and extend to bonds/angles
61af28265478
·Axel Kohlmeyer on Feb 14 2014, 20:17.

Feb 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11539 f3b2605a-c512-4ea7…
958a442bebbe
·sjplimp on Feb 12 2014, 02:07.

Feb 9 2014

various small cleanups and bugfixes found by checking warnings from clang
396e7165aebc
·Axel Kohlmeyer on Feb 9 2014, 23:47.

Feb 7 2014

fix some trivial formatting issues flagged by clang++
f1feacdafd31
·Axel Kohlmeyer on Feb 7 2014, 23:19.

Jan 31 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11419 f3b2605a-c512-4ea7…
47f42c2a5507
·sjplimp on Jan 31 2014, 23:39.
bugfix for computing forces in dreiding hbond pair styles
748dcbcb5b84
·Axel Kohlmeyer on Jan 31 2014, 23:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11416 f3b2605a-c512-4ea7…
823675d6be56
·sjplimp on Jan 31 2014, 15:46.

Jan 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11407 f3b2605a-c512-4ea7…
170ff252dbe6
·sjplimp on Jan 30 2014, 23:12.
port remaining multi-threaded neighbor list code to atom style template
d2af99f2c50a
·Axel Kohlmeyer on Jan 30 2014, 22:30.
more porting of template support to threaded neighbor lists
41ba4c7ea765
·Axel Kohlmeyer on Jan 30 2014, 04:22.
start porting changes to support atom_style template to USER-OMP
4302d3427660
·Axel Kohlmeyer on Jan 30 2014, 00:41.

Jan 28 2014

update format strings for bond, dihedral and improper warnings that use tags
bea87398b383
·Axel Kohlmeyer on Jan 28 2014, 18:53.
update hbond/dreiding/*/omp for the latest upstream changes
961d9171eb9a
·Axel Kohlmeyer on Jan 28 2014, 18:42.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
0750213978f2
·Axel Kohlmeyer on Jan 28 2014, 16:11.

Jan 27 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11345 f3b2605a-c512-4ea7…
7e5b15bb90c4
·sjplimp on Jan 27 2014, 21:53.
carry over changes from upstream
f29d16e0323c
·Axel Kohlmeyer on Jan 27 2014, 04:25.

Jan 24 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11306 f3b2605a-c512-4ea7…
418e9cf0bb62
·sjplimp on Jan 24 2014, 22:43.
fixes to compile USER-OMP with -DLAMMPS_BIGBIG
36176a9eb9df
·Axel Kohlmeyer on Jan 24 2014, 01:22.

Jan 23 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
979c5746a06c
·Axel Kohlmeyer on Jan 23 2014, 18:11.

Jan 22 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11294 f3b2605a-c512-4ea7…
48f417e21918
·sjplimp on Jan 22 2014, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7…
127eb167c116
·sjplimp on Jan 22 2014, 18:44.
anticipate uplevel bugfix to r-RESPA
083b517cb002
·Axel Kohlmeyer on Jan 22 2014, 16:55.

Jan 21 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11284 f3b2605a-c512-4ea7…
4db641a9f03c
·sjplimp on Jan 21 2014, 23:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11282 f3b2605a-c512-4ea7…
b26cc714c298
·sjplimp on Jan 21 2014, 16:39.

Jan 18 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
46e8e6c12078
·Axel Kohlmeyer on Jan 18 2014, 17:52.

Jan 17 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7…
cb1ad361fbf0
·sjplimp on Jan 17 2014, 22:17.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a6ca3cab542c
·Axel Kohlmeyer on Jan 17 2014, 02:53.

Jan 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7…
a1ef01fc1ae2
·sjplimp on Jan 14 2014, 17:17.

Jan 8 2014

fix bug found by paul coffman
f9ac6293ec59
·Axel Kohlmeyer on Jan 8 2014, 13:49.

Dec 19 2013

fix bug in lj/sf reported by juerg diemand
05867c27426a
·Axel Kohlmeyer on Dec 19 2013, 17:37.

Nov 25 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11054 f3b2605a-c512-4ea7…
1f844fd910e9
·sjplimp on Nov 25 2013, 17:02.

Nov 23 2013

bufixes for angle style quartic
356e22265490
·Axel Kohlmeyer on Nov 23 2013, 22:55.

Oct 31 2013

restore some changes that got dropped in the last merge
e51b1faae0bb
·Axel Kohlmeyer on Oct 31 2013, 11:53.
Merge remote branch 'lammps-ro/master' into lammps-icms
cad4e3266db9
·Axel Kohlmeyer on Oct 31 2013, 11:30.

Oct 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7…
0fa3867f3437
·sjplimp on Oct 30 2013, 16:42.

Oct 17 2013

remove comment that is not needed
2c0da2324edb
·Axel Kohlmeyer on Oct 17 2013, 22:20.
remove statement without effect
f3facd747c77
·Axel Kohlmeyer on Oct 17 2013, 22:15.

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lammps/src/USER-OMP
lammm-masterb0ffa46a3bb994e3fe0c157…