Diffusion lammps (efficient_neuronet) History

lammps/src
efficient_neuronetfd3da81ee60ce59ee6eb947…

Aug 30 2016

must not initialize base class members
fd3da81ee60c
·Axel Kohlmeyer on Aug 30 2016, 13:07.
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 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.
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.

lammps/srcefficient_neuronetfd3da81ee60ce59ee6eb947…

Aug 30 2016

Aug 29 2016

Aug 28 2016

Aug 27 2016

Aug 26 2016

Aug 25 2016

Aug 24 2016

Aug 23 2016

Aug 22 2016

Aug 21 2016

lammps/src
efficient_neuronetfd3da81ee60ce59ee6eb947…