Diffusion lammps (lammm-master-deprecated) History

lammps/src
lammm-master-deprecated

Aug 31 2016

small bug fixes
083ff54c0c51
·sjplimp on Aug 31 2016, 22:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15526 f3b2605a-c512-4ea7…
e3d0a322729e
·sjplimp on Aug 31 2016, 22:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15524 f3b2605a-c512-4ea7…
9d8027c90008
·sjplimp on Aug 31 2016, 21:25.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
a236af80eab5
·Axel Kohlmeyer on Aug 31 2016, 12:33.
restore pointer NULLifying for fix balance
35c23a19612c
·Axel Kohlmeyer on Aug 31 2016, 12:33.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ccb3c31b0e2a
·Axel Kohlmeyer on Aug 31 2016, 12:32.
Fixing Kokkos memory issue
76acb8caf15f
·stamoor on Aug 31 2016, 01:18.

Aug 30 2016

change angular velocity computation for groups/chunks to handle (near) zero…
2af907a10d94
·Axel Kohlmeyer on Aug 30 2016, 22:47.
fix typo in comments
7875009218a7
·Axel Kohlmeyer on Aug 30 2016, 22:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15522 f3b2605a-c512-4ea7…
ba444a4c6bff
·sjplimp on Aug 30 2016, 21:33.
Merge branch 'merge-pull-166' into lammps-icms
617e88162625
·Axel Kohlmeyer on Aug 30 2016, 13:08.
must not initialize base class members
fd3da81ee60c
·Axel Kohlmeyer on Aug 30 2016, 13:07.
Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into merge…
4dcd24d86741
·Axel Kohlmeyer on Aug 30 2016, 12:26.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c89cdb1adc4a
·Axel Kohlmeyer on Aug 30 2016, 12:24.
sync with Git
958e3e6a80e7
·sjplimp on Aug 30 2016, 01:49.
sync with Git
2993aec312a7
·sjplimp on Aug 30 2016, 00:52.

Aug 29 2016

Use MPI_Allreduce values instead of each processor's values
f30232b41ed2
·Efrem Braun on Aug 29 2016, 18:59.
use correct order when initializing arrays
dec122780c76
·Axel Kohlmeyer on Aug 29 2016, 04:21.
Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into…
bb234349ec86
·Axel Kohlmeyer on Aug 29 2016, 04:16.

Aug 28 2016

fix off-by one bug when looking for bonds.
24392261e37f
·Axel Kohlmeyer on Aug 28 2016, 20:21.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
dd3b0bfffd0e
·Axel Kohlmeyer on Aug 28 2016, 12:42.
optimize twobody term by passing a const reference instead of a pointer
4a7d389f42a4
·Axel Kohlmeyer on Aug 28 2016, 04:52.
updated and slightly refactored tabulation for vashishta pair style
3ca518703c83
·Axel Kohlmeyer on Aug 28 2016, 04:36.
Merge branch 'optimized_vashishta' of https://github.com/andeplane/lammps into…
67ded259f270
·Axel Kohlmeyer on Aug 28 2016, 02:48.
sync with Git
236241b10085
·sjplimp on Aug 28 2016, 01:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15513 f3b2605a-c512-4ea7…
0ec104088fe6
·sjplimp on Aug 28 2016, 00:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15511 f3b2605a-c512-4ea7…
4f49acf90303
·sjplimp on Aug 28 2016, 00:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15509 f3b2605a-c512-4ea7…
18d05e04a206
·sjplimp on Aug 28 2016, 00:37.
new fix flow/gauss command
90e6032f973d
·sjplimp on Aug 28 2016, 00:18.

Aug 27 2016

small cleanup and generalization of fix flow/gauss
e017b3389839
·Axel Kohlmeyer on Aug 27 2016, 23:32.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
442fedb2a5fe
·Axel Kohlmeyer on Aug 27 2016, 16:34.
enforce C or POSIX locale in all shell scripts and turn of enforced global grep…
84d0bed33b56
·Axel Kohlmeyer on Aug 27 2016, 16:34.
fix bugs in the automated python 3 compatibility conversion
b6a677ad7c08
·Axel Kohlmeyer on Aug 27 2016, 00:03.

Aug 26 2016

Added check for undefined hbonds
646d5bb1b9aa
·athomps on Aug 26 2016, 22:03.
Adding Kokkos warning
5348c1c70fe7
·stamoor on Aug 26 2016, 20:37.
update .gitignore for most recent changes
0092be084785
·Axel Kohlmeyer on Aug 26 2016, 20:31.
Adding Kokkos warning
56628fe2b643
·stamoor on Aug 26 2016, 20:17.
Cleaning up code
8a7fecbd9122
·stamoor on Aug 26 2016, 18:32.
Fixing Kokkos memory issue
33661364938f
·stamoor on Aug 26 2016, 17:43.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1ccda0261e9b
·Axel Kohlmeyer on Aug 26 2016, 12:22.
address issues detected by coverity scan
1825f12c2931
·Axel Kohlmeyer on Aug 26 2016, 07:35.

Aug 25 2016

Fixing compiler warning
bfb01b84e6a6
·stamoor on Aug 25 2016, 18:59.
Fixed initialization of arrays in computes/fixes in MC package
90d22706cccd
·Anders Hafreager on Aug 25 2016, 16:15.
Fixed initialization of arrays in computes/fixes in MANYBODY package
97901d0f7a94
·Anders Hafreager on Aug 25 2016, 15:42.
Fixed initialization of arrays in fixes
a29f660f0bab
·Anders Hafreager on Aug 25 2016, 15:37.
Fixed initialization of arrays in fixes
38ae93fe9386
·Anders Hafreager on Aug 25 2016, 15:33.
Fixed initialization of arrays in fixes
d11b1ed6c343
·Anders Hafreager on Aug 25 2016, 15:27.
Fixed initialization of arrays in fixes
2bd020290ee4
·Anders Hafreager on Aug 25 2016, 15:25.
Fixed initialization of arrays in fixes
5784ea3b5169
·Anders Hafreager on Aug 25 2016, 15:20.
remove vector/array declarating in compute styles that shadow compute.h members
bcb85aed6c27
·Axel Kohlmeyer on Aug 25 2016, 13:03.
Fixed initialization of arrays in fixes
fbccad3ebc08
·Anders Hafreager on Aug 25 2016, 11:53.
Fixed initialization of arrays in fixes
ddc7bf48849e
·Anders Hafreager on Aug 25 2016, 11:45.
Merge branch 'find_with_null' of https://github.com/andeplane/lammps into merge…
6a21d62c3ff9
·Axel Kohlmeyer on Aug 25 2016, 11:37.
find functions in atom.cpp checks for id/name being NULL
f7e741f34439
·Anders Hafreager on Aug 25 2016, 11:35.
Merge branch 'find_with_null' of https://github.com/andeplane/lammps into merge…
b76dc86f05d1
·Axel Kohlmeyer on Aug 25 2016, 11:33.
Fixed initialization of arrays in fixes
fe0203b1d74b
·Anders Hafreager on Aug 25 2016, 11:33.
Fixed so we test for compute,fix and variable id's being NULL in find_ functions
12e1857e3046
·Anders Hafreager on Aug 25 2016, 10:57.
Fixed initialization of arrays in fixes
bb7e42378fdf
·Anders Hafreager on Aug 25 2016, 10:55.
Fixed initialization of arrays in fixes
7b255edfeae5
·Anders Hafreager on Aug 25 2016, 10:33.
remove dependency on python-future module and avoid clashes with str()
99b93fa62c46
·Axel Kohlmeyer on Aug 25 2016, 06:09.
fix bug in reserving sufficient space for special atoms
224c43709519
·Axel Kohlmeyer on Aug 25 2016, 05:30.
silence warnings about order of pointers in the initializer
d71565b77bb3
·Axel Kohlmeyer on Aug 25 2016, 05:28.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
4b0bef97187c
·Axel Kohlmeyer on Aug 25 2016, 05:18.
fix memory leak in compute omega/chunk
e8d034250370
·Axel Kohlmeyer on Aug 25 2016, 05:12.
Merge branch 'merge-pull-140' into lammps-icms
998fa338f1cb
·Axel Kohlmeyer on Aug 25 2016, 00:15.

Aug 24 2016

simplify fix bond/create code a little more
be732e60989f
·Axel Kohlmeyer on Aug 24 2016, 23:06.
merged, small bugs fixed
c3ddb9eae91c
·aaramoon on Aug 24 2016, 17:07.
Fixed initialization of arrays in computes
5d993cfe7438
·Anders Hafreager on Aug 24 2016, 17:06.
Fixed initialization of arrays in computes
4e27bb8fdbb4
·Anders Hafreager on Aug 24 2016, 16:50.
Merge branch 'merge-pull-140' of https://github.com/akohlmey/lammps into…
ceb4ba09196e
·aaramoon on Aug 24 2016, 16:44.
Fixed initialization of arrays in computes
5392cfa2d92f
·Anders Hafreager on Aug 24 2016, 16:38.
Fixed initialization of arrays in computes
6bdbb21eb7b7
·Anders Hafreager on Aug 24 2016, 16:24.
Fixed initialization of arrays in computes
8c674019a5b8
·Anders Hafreager on Aug 24 2016, 16:16.
Fixed initialization of arrays in computes
0ef26d0ca003
·Anders Hafreager on Aug 24 2016, 16:06.
Fixed initialization of arrays in computes
3830b3c810c1
·Anders Hafreager on Aug 24 2016, 16:03.
Fixed initialization of arrays in computes
a57436037257
·Anders Hafreager on Aug 24 2016, 15:57.
memory leak fixed
958293f640a4
·aaramoon on Aug 24 2016, 15:19.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
57fb84393a7a
·Axel Kohlmeyer on Aug 24 2016, 13:49.
significant refactoring of argument parsing and checking in fix bond/create
93b8d00a5946
·Axel Kohlmeyer on Aug 24 2016, 02:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15493 f3b2605a-c512-4ea7…
647ffab74fc7
·sjplimp on Aug 24 2016, 00:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15491 f3b2605a-c512-4ea7…
1e1f68c30d4b
·sjplimp on Aug 24 2016, 00:41.
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.

lammps/srclammm-master-deprecated

Aug 31 2016

Aug 30 2016

Aug 29 2016

Aug 28 2016

Aug 27 2016

Aug 26 2016

Aug 25 2016

Aug 24 2016

Aug 23 2016

lammps/src
lammm-master-deprecated