Diffusion lammps (runner) History

lammps/src
runner

Aug 24 2016

remove xxxdynflag. we will check on pointers being valid instead.
8465b417f6b9
·Axel Kohlmeyer on Aug 24 2016, 00:33.
refactoring of TypeDetector class
f4a89d56fcf9
·Axel Kohlmeyer on Aug 24 2016, 00:32.
add new test stringstyle() for identify variable styles that return stored…
bc0864e2d3be
·Axel Kohlmeyer on Aug 24 2016, 00:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15489 f3b2605a-c512-4ea7…
7bf1d9b40fe1
·sjplimp on Aug 24 2016, 00:17.

Aug 23 2016

various small cleanup steps to dynamic type selection for…
bddb31ea43d0
·Axel Kohlmeyer on Aug 23 2016, 22:29.
Merge branch 'fix_bond_create_update' of https://github.com/aminaramoon/lammps…
62eeed768bde
·Axel Kohlmeyer on Aug 23 2016, 21:47.
memory leak resolved
49597fa96025
·aaramoon on Aug 23 2016, 21:32.
silence compiler warning
bd258d676807
·Axel Kohlmeyer on Aug 23 2016, 21:28.
correct include files format and add missing string.h
9f1759481b3c
·Axel Kohlmeyer on Aug 23 2016, 19:24.
Merge branch 'add-fix-gaussFlow' of https://github.com/sstrong99/lammps into…
d08e79702603
·Axel Kohlmeyer on Aug 23 2016, 19:18.
revised fix_flow_gauss
6c927a419da4
·Steven Strong on Aug 23 2016, 18:11.
revised fix_flow_gauss
690158939564
·Steven Strong on Aug 23 2016, 18:10.
Fixing Kokkos output for number of OpenMP threads
d007faca515f
·stamoor on Aug 23 2016, 18:07.
Fixing bug on Macs
89fc866ba7a4
·stamoor on Aug 23 2016, 17:45.
revised fix_flow_gauss
06996d7782d9
·Steven Strong on Aug 23 2016, 17:38.
revised fix_flow_gauss
2e7404c96c42
·Steven Strong on Aug 23 2016, 17:38.
revised fix_flow_gauss
3309e9d3baf9
·Steven Strong on Aug 23 2016, 17:33.
enum added in type detector
a2e882daa290
·aaramoon on Aug 23 2016, 16:52.
correction made
d1ba974fa8ee
·aaramoon on Aug 23 2016, 16:50.
minor cleanup and compiler warning silencing
29ae1bbca86a
·Axel Kohlmeyer on Aug 23 2016, 04:35.
Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into…
bbf1dcd9db24
·Axel Kohlmeyer on Aug 23 2016, 04:23.

Aug 22 2016

Added fix_gaussflow
95755ba8b2e9
·Steven Strong on Aug 22 2016, 23:47.
restore accidentally deleted error message.
f83f88d736d7
·Axel Kohlmeyer on Aug 22 2016, 22:28.
Removed if tests in destructor. Also NULLing pointers in destructors
68c4a8c2f1cf
·Anders Hafreager on Aug 22 2016, 12:42.
Initialize pointers to zero before anything else in fix_ave_chunk.cpp
ae2bfec83d97
·Anders Hafreager on Aug 22 2016, 10:13.
Added curly brackets and spaces for better code readability
97ffbb68fd89
·Anders Hafreager on Aug 22 2016, 07:55.
Fixed so tabulated pair_vashishta uses same pair_modify command style as other…
001c559a261b
·Anders Hafreager on Aug 22 2016, 07:51.

Aug 21 2016

correct bug in tracking atom->nlocal vs. atom->nmax when allocating pbc…
45a2dd36d0f0
·Axel Kohlmeyer on Aug 21 2016, 17:18.
fix bug in recent dump changes for -DLAMMPS_BIGBIG
a50793687861
·Axel Kohlmeyer on Aug 21 2016, 17:17.
Merge branch 'valgrind_errors' of https://github.com/rbberger/lammps into merge…
2dd61ffedae2
·Axel Kohlmeyer on Aug 21 2016, 17:02.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ebbed707c6cf
·Axel Kohlmeyer on Aug 21 2016, 17:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15483 f3b2605a-c512-4ea7…
d4891754c862
·sjplimp on Aug 21 2016, 00:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7…
6ccf4b452592
·sjplimp on Aug 21 2016, 00:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7…
bfba361f65f2
·sjplimp on Aug 21 2016, 00:22.

Aug 17 2016

fix_bond_create_updated
180776e4f702
·aaramoon on Aug 17 2016, 16:12.
fix indexing bugs in accessing compute and fix labels in fix ave/histo
579c52771813
·Axel Kohlmeyer on Aug 17 2016, 05:54.
Remembering to clean up memory with new arrays in vashishta.
a27c2759b488
·Anders Hafreager on Aug 17 2016, 05:29.
Added 3-body neighbor list building for faster short range 3 body forces.
233a1c3e84a3
·Anders Hafreager on Aug 17 2016, 05:28.
Added tabulated version of vashishta potential
08228bd62d12
·Anders Hafreager on Aug 17 2016, 04:53.

Aug 16 2016

Remove memory leak and unnecessary allocation
c998f7b81fb7
·Richard Berger on Aug 16 2016, 04:51.
Add missing initialization
054256cf0a85
·Richard Berger on Aug 16 2016, 04:14.

Aug 14 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
27d36f3f145b
·Axel Kohlmeyer on Aug 14 2016, 12:15.

Aug 13 2016

correct small (but harmless) logic error.
ac6f4f8a5672
·Axel Kohlmeyer on Aug 13 2016, 16:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15474 f3b2605a-c512-4ea7…
650359087584
·sjplimp on Aug 13 2016, 16:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15473 f3b2605a-c512-4ea7…
2c9eef57d06a
·sjplimp on Aug 13 2016, 16:49.
update colvars to version 2016-08-10
eba3ad9abb37
·Axel Kohlmeyer on Aug 13 2016, 13:24.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e338a2f38619
·Axel Kohlmeyer on Aug 13 2016, 12:54.
silence warnings about cases, that cannot happen
60bf26bad9c6
·Axel Kohlmeyer on Aug 13 2016, 07:59.
fix bug found by coverity scan
63b41cb1390a
·Axel Kohlmeyer on Aug 13 2016, 07:58.

Aug 12 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15470 f3b2605a-c512-4ea7…
ff933712b73f
·sjplimp on Aug 12 2016, 16:33.

Aug 11 2016

remove duplicated statement
bc7c97b88231
·Axel Kohlmeyer on Aug 11 2016, 13:30.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c6ef337b2eb0
·Axel Kohlmeyer on Aug 11 2016, 13:28.
improve the weight assignment algorithm for compute time based balancing
2b052c2a9c8e
·Axel Kohlmeyer on Aug 11 2016, 02:52.

Aug 10 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7…
639ea6c39647
·sjplimp on Aug 10 2016, 16:59.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
aef16fed2a27
·Axel Kohlmeyer on Aug 10 2016, 13:26.

Aug 9 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15465 f3b2605a-c512-4ea7…
de2b6cf6bde1
·sjplimp on Aug 9 2016, 22:45.
perform stage 2 of python2/3 compatibility conversion with futurize
8d2fc6b14f39
·Axel Kohlmeyer on Aug 9 2016, 22:00.
process with futurize -1 to increase its portability.
2495bee1d8b4
·Axel Kohlmeyer on Aug 9 2016, 21:50.
port changes to lj/sf/dipole/sf to lj/sf/dipole/sf/omp
ad652c9b82b0
·Axel Kohlmeyer on Aug 9 2016, 16:30.
change pair_coeff syntax for lj/sf/dipole/sf to be backward compatible and…
0369d79c398a
·Axel Kohlmeyer on Aug 9 2016, 16:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7…
6c8d3ed4e849
·sjplimp on Aug 9 2016, 16:10.
import updated pair lj/sf/dipole/sf files from sam genheden
ae691ab7865b
·Axel Kohlmeyer on Aug 9 2016, 15:33.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
96e415ad8af4
·Axel Kohlmeyer on Aug 9 2016, 13:01.

Aug 8 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15462 f3b2605a-c512-4ea7…
550be1d5129e
·sjplimp on Aug 8 2016, 21:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15459 f3b2605a-c512-4ea7…
056ff192c619
·sjplimp on Aug 8 2016, 15:47.

Aug 7 2016

plug small memory leak
93554fac5e3e
·Axel Kohlmeyer on Aug 7 2016, 05:43.
remove upper limit for weigh factor on neighbor list and time weights
797c6dc2dd27
·Axel Kohlmeyer on Aug 7 2016, 04:49.
add new imbalance module store, which allows to store weights in an atom…
5405622f3bda
·Axel Kohlmeyer on Aug 7 2016, 04:48.
convert from using fix property/atom to using fix store
280aef55d2b7
·Axel Kohlmeyer on Aug 7 2016, 01:31.
whitespace cleanup
b3bd35c7beef
·Axel Kohlmeyer on Aug 7 2016, 01:30.

Aug 6 2016

properly handle the case of neighbor lists never been computed before
fcba14a0aa97
·Axel Kohlmeyer on Aug 6 2016, 21:47.
plug small memory leak
c00aa3c600c0
·Axel Kohlmeyer on Aug 6 2016, 21:11.
simplify and correct logic to pass weight to balancer algorithms
529417f86c4d
·Axel Kohlmeyer on Aug 6 2016, 20:40.
correct string hanlding with building custom property label
6a519e5eefb5
·Axel Kohlmeyer on Aug 6 2016, 20:40.
we cannot add a fix while creating a fix. move fix addintion to Fix::init()
4c26534245e2
·Axel Kohlmeyer on Aug 6 2016, 20:39.
rewrote balancing to use per-atom data stored via fix property/atom
1da862b44077
·Axel Kohlmeyer on Aug 6 2016, 19:21.
custom property names should be compatible with string literals
4b3783d18c3d
·Axel Kohlmeyer on Aug 6 2016, 19:20.
Merge branch 'lammps-icms' into balance-refactor
62443e27bc14
·Axel Kohlmeyer on Aug 6 2016, 13:24.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
78b47137ba70
·Axel Kohlmeyer on Aug 6 2016, 13:22.

Aug 5 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15455 f3b2605a-c512-4ea7…
decd072117f3
·sjplimp on Aug 5 2016, 22:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15444 f3b2605a-c512-4ea7…
2d694f934e36
·sjplimp on Aug 5 2016, 17:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15436 f3b2605a-c512-4ea7…
9a9897cd447f
·sjplimp on Aug 5 2016, 17:07.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
290cbb9b9126
·Axel Kohlmeyer on Aug 5 2016, 12:42.
Merge branch 'lammps-icms' into balance-refactor
cd01e5855d2c
·Axel Kohlmeyer on Aug 5 2016, 04:34.

Aug 4 2016

create/use a ke compute instead of converting from temperature
0f2e7241900b
·Axel Kohlmeyer on Aug 4 2016, 22:36.
remove unused variable
a19ea3ee5e16
·Axel Kohlmeyer on Aug 4 2016, 22:34.
port changes to dump file formatting from upstream to COMPRESS package
f4f8ce57a53e
·Axel Kohlmeyer on Aug 4 2016, 20:16.
fix bug introduced by steve.
73368211c536
·Axel Kohlmeyer on Aug 4 2016, 20:02.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
88062030752a
·Axel Kohlmeyer on Aug 4 2016, 19:43.
delete redundant code and add comment to avoid doing this in the future
ca1050f5875b
·Axel Kohlmeyer on Aug 4 2016, 19:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15435 f3b2605a-c512-4ea7…
0bffc1711e3e
·sjplimp on Aug 4 2016, 18:39.
fix optional argument scanning bug
2a90afe7e9a1
·Axel Kohlmeyer on Aug 4 2016, 14:28.
remove unused class member
f884bb2c92ec
·Axel Kohlmeyer on Aug 4 2016, 14:18.
incorporate refactored weighting into fix balance
71ef6fb4d95a
·Axel Kohlmeyer on Aug 4 2016, 14:04.
convert weight array from class member to local pointer to temporary storage
ecbbdc2e7ff0
·Axel Kohlmeyer on Aug 4 2016, 14:03.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ad0633f7c142
·Axel Kohlmeyer on Aug 4 2016, 12:56.
proof-of-concept implementation for neighbor list based balancing with yet…
d40de42af861
·Axel Kohlmeyer on Aug 4 2016, 08:02.
re-factored balance command now works with group and time weights
3f674e5062aa
·Axel Kohlmeyer on Aug 4 2016, 00:34.

Aug 3 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15431 f3b2605a-c512-4ea7…
a93e6e83ed58
·sjplimp on Aug 3 2016, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15429 f3b2605a-c512-4ea7…
1f6518400e83
·sjplimp on Aug 3 2016, 21:31.

lammps/srcrunner

Aug 24 2016

Aug 23 2016

Aug 22 2016

Aug 21 2016

Aug 17 2016

Aug 16 2016

Aug 14 2016

Aug 13 2016

Aug 12 2016

Aug 11 2016

Aug 10 2016

Aug 9 2016

Aug 8 2016

Aug 7 2016

Aug 6 2016

Aug 5 2016

Aug 4 2016

Aug 3 2016

lammps/src
runner