Diffusion lammps (efficient_neuronet) History

lammps/src
efficient_neuronetd9a0df6c970001a1023eff4…

Nov 20 2014

minor cleanup
d9a0df6c9700
·Axel Kohlmeyer on Nov 20 2014, 16:52.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
00a18085eb15
·Axel Kohlmeyer on Nov 20 2014, 16:51.

Nov 19 2014

Restoring qeq files
f51b6d103b77
·stamoor on Nov 19 2014, 23:43.
Fixing bug in qeq
72a1dc1552f1
·stamoor on Nov 19 2014, 22:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12743 f3b2605a-c512-4ea7…
7eca5edcae58
·sjplimp on Nov 19 2014, 20:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12742 f3b2605a-c512-4ea7…
2d840c556ba0
·sjplimp on Nov 19 2014, 20:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12741 f3b2605a-c512-4ea7…
59c9f7af480c
·sjplimp on Nov 19 2014, 20:39.
collected USER-CUDA and KOKKOS updates to address compiler warnings
a88834698ea7
·Axel Kohlmeyer on Nov 19 2014, 20:12.
anticipate bugfixes from 22 Nov 2014 patch
af45b7c19b83
·Axel Kohlmeyer on Nov 19 2014, 19:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12737 f3b2605a-c512-4ea7…
edb95fc5cd25
·sjplimp on Nov 19 2014, 19:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12735 f3b2605a-c512-4ea7…
23a756c86e7e
·sjplimp on Nov 19 2014, 18:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12734 f3b2605a-c512-4ea7…
a7c5a1661d25
·sjplimp on Nov 19 2014, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12731 f3b2605a-c512-4ea7…
526b81b955c0
·sjplimp on Nov 19 2014, 18:28.
bugfix from agilio
4dd5a263cd59
·Axel Kohlmeyer on Nov 19 2014, 17:42.
dead code removal and format cleanups
8f5063b26e7b
·Axel Kohlmeyer on Nov 19 2014, 17:39.
work around confused OpenMP compilers
2d2210133fb8
·Axel Kohlmeyer on Nov 19 2014, 17:12.
fix array dimensioning bug
3b4f52bc9399
·Axel Kohlmeyer on Nov 19 2014, 17:12.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
d865a1d8e56f
·Axel Kohlmeyer on Nov 19 2014, 17:11.
Fixing bug
aaa76b5649ae
·stamoor on Nov 19 2014, 16:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12729 f3b2605a-c512-4ea7…
74adae232eb4
·sjplimp on Nov 19 2014, 16:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12727 f3b2605a-c512-4ea7…
fcaaf75764f7
·sjplimp on Nov 19 2014, 16:00.

Nov 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12724 f3b2605a-c512-4ea7…
14199b85f91e
·sjplimp on Nov 18 2014, 22:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12720 f3b2605a-c512-4ea7…
e4c84f31caaa
·sjplimp on Nov 18 2014, 21:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12718 f3b2605a-c512-4ea7…
48e1a950b9f7
·sjplimp on Nov 18 2014, 21:01.
avoid virtual function overloading mismatch
200743f865cb
·Axel Kohlmeyer on Nov 18 2014, 19:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12717 f3b2605a-c512-4ea7…
b0a5f4a28054
·sjplimp on Nov 18 2014, 16:41.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
416f6c25e56d
·Axel Kohlmeyer on Nov 18 2014, 16:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12716 f3b2605a-c512-4ea7…
980ef3753512
·sjplimp on Nov 18 2014, 01:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7…
21ac09ad9c9c
·sjplimp on Nov 18 2014, 01:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7…
f14e5cdce67b
·sjplimp on Nov 18 2014, 01:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12711 f3b2605a-c512-4ea7…
87cdaaa1239c
·sjplimp on Nov 18 2014, 00:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12710 f3b2605a-c512-4ea7…
5e1af15a1003
·sjplimp on Nov 18 2014, 00:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12709 f3b2605a-c512-4ea7…
32699b098348
·sjplimp on Nov 18 2014, 00:49.

Nov 17 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12707 f3b2605a-c512-4ea7…
dbdde74aab16
·sjplimp on Nov 17 2014, 22:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12706 f3b2605a-c512-4ea7…
c404148cb9ac
·sjplimp on Nov 17 2014, 22:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12704 f3b2605a-c512-4ea7…
3c59b58794a8
·sjplimp on Nov 17 2014, 19:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12700 f3b2605a-c512-4ea7…
f39815a416a3
·sjplimp on Nov 17 2014, 19:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12698 f3b2605a-c512-4ea7…
9f94910670ea
·sjplimp on Nov 17 2014, 19:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12695 f3b2605a-c512-4ea7…
f58e7cd6cc9a
·sjplimp on Nov 17 2014, 19:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12693 f3b2605a-c512-4ea7…
b7ece0fb5183
·sjplimp on Nov 17 2014, 19:11.

Nov 6 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8014e5cf0d4e
·Axel Kohlmeyer on Nov 6 2014, 17:03.

Nov 5 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12679 f3b2605a-c512-4ea7…
a5a013ed1a96
·sjplimp on Nov 5 2014, 17:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12678 f3b2605a-c512-4ea7…
d586a4bbbbe3
·sjplimp on Nov 5 2014, 17:35.

Nov 3 2014

import bugfix from trung for computing per atom virial with pppm/gpu
8e4bd5255a80
·Axel Kohlmeyer on Nov 3 2014, 21:49.

Nov 1 2014

bugfix/update
1e0d8a1e14aa
·Axel Kohlmeyer on Nov 1 2014, 05:43.

Oct 31 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
4a07b74790ce
·Axel Kohlmeyer on Oct 31 2014, 14:16.

Oct 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12675 f3b2605a-c512-4ea7…
fdd3c860d077
·sjplimp on Oct 30 2014, 18:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12673 f3b2605a-c512-4ea7…
664cf51d7bc3
·sjplimp on Oct 30 2014, 18:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12670 f3b2605a-c512-4ea7…
87b86eda4c4d
·sjplimp on Oct 30 2014, 17:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12669 f3b2605a-c512-4ea7…
731f4e46746d
·sjplimp on Oct 30 2014, 17:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12666 f3b2605a-c512-4ea7…
13f65f7f1827
·sjplimp on Oct 30 2014, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12665 f3b2605a-c512-4ea7…
ec9ca628445e
·sjplimp on Oct 30 2014, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12664 f3b2605a-c512-4ea7…
bbdb288175cc
·sjplimp on Oct 30 2014, 16:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12662 f3b2605a-c512-4ea7…
04fc77f85dda
·sjplimp on Oct 30 2014, 16:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12661 f3b2605a-c512-4ea7…
88d6e13898ce
·sjplimp on Oct 30 2014, 16:07.
restore some required code when deleting dead code
0b0d5f2e86f2
·Axel Kohlmeyer on Oct 30 2014, 11:49.
grow_arrays() was called too early.
f35a86e7c0e4
·Axel Kohlmeyer on Oct 30 2014, 11:42.
Merge remote branch 'lammps-ro/master' into lammps-icms
a8e2433a2aef
·Axel Kohlmeyer on Oct 30 2014, 11:23.
make the fix phonon code more standard compliant
6d387b4aaff9
·Axel Kohlmeyer on Oct 30 2014, 10:05.

Oct 29 2014

update proxy revision id
2507679103d3
·Axel Kohlmeyer on Oct 29 2014, 21:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12658 f3b2605a-c512-4ea7…
155260799895
·sjplimp on Oct 29 2014, 16:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12656 f3b2605a-c512-4ea7…
711e9ea3a1ec
·sjplimp on Oct 29 2014, 16:48.
cosmetic change
7d2b884023f7
·Axel Kohlmeyer on Oct 29 2014, 13:51.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
12dcd704610d
·Axel Kohlmeyer on Oct 29 2014, 13:26.

Oct 28 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12652 f3b2605a-c512-4ea7…
1fbc2e928d1c
·sjplimp on Oct 28 2014, 20:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12651 f3b2605a-c512-4ea7…
9f3c85870b4e
·sjplimp on Oct 28 2014, 20:54.

Oct 27 2014

another synchronization with colvars git repo
27f5998d9306
·Axel Kohlmeyer on Oct 27 2014, 19:48.
update colvars library from git repo again
f7d5f002f677
·Axel Kohlmeyer on Oct 27 2014, 07:36.

Oct 26 2014

bugfix/workaround for multi-style neighbor list builds with GPU acceleration
501d810234ee
·Axel Kohlmeyer on Oct 26 2014, 19:33.
do not fail, if log.cite cannot be written (to).
294a1dc84f59
·Axel Kohlmeyer on Oct 26 2014, 10:11.
more colvars updates. now prints interface version date,too.
f4718e986164
·Axel Kohlmeyer on Oct 26 2014, 08:16.

Oct 24 2014

user-reaxc bugfix from ray
ca928af3bd19
·Axel Kohlmeyer on Oct 24 2014, 18:45.
gpu library updates from trung
2eb98b704b11
·Axel Kohlmeyer on Oct 24 2014, 12:32.

Oct 22 2014

synchronize with the colvars git repo again
c47c1428c211
·Axel Kohlmeyer on Oct 22 2014, 16:38.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ff0d7028fef5
·Axel Kohlmeyer on Oct 22 2014, 12:49.

Oct 21 2014

add basic multi-replica support for colvars
83c08fab776d
·Axel Kohlmeyer on Oct 21 2014, 22:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12643 f3b2605a-c512-4ea7…
e806e4d2669f
·sjplimp on Oct 21 2014, 19:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12642 f3b2605a-c512-4ea7…
e64b937a4303
·sjplimp on Oct 21 2014, 19:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7…
7518fae9bcff
·sjplimp on Oct 21 2014, 19:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12639 f3b2605a-c512-4ea7…
4ffd3808e0f4
·sjplimp on Oct 21 2014, 18:36.
update C++ headers with emacs mode cookies
35d8036e3236
·Axel Kohlmeyer on Oct 21 2014, 18:00.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
7834baffe4c2
·Axel Kohlmeyer on Oct 21 2014, 16:54.
disallow using fixes from the QEQ package with newton pair off
112ea4cd2b74
·Axel Kohlmeyer on Oct 21 2014, 00:34.

Oct 20 2014

update Makefile.shlib to be in sync with the standard makefile
2411d6363822
·Axel Kohlmeyer on Oct 20 2014, 23:51.
update some custom makefiles for recent changes in build system
6ccfab428dab
·Axel Kohlmeyer on Oct 20 2014, 23:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7…
f350cc4ec77b
·sjplimp on Oct 20 2014, 23:17.
need to resize per atom arrays after we know whether extended flags are used
2930738444f4
·Axel Kohlmeyer on Oct 20 2014, 19:10.

Oct 17 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9613feca98e9
·Axel Kohlmeyer on Oct 17 2014, 00:12.

Oct 16 2014

update colvars library to the state of 16 Oct 2014
ac3359b2d6d3
·Axel Kohlmeyer on Oct 16 2014, 23:46.

Oct 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12635 f3b2605a-c512-4ea7…
4a31f062c434
·sjplimp on Oct 14 2014, 16:28.
temporarily disable known to be broken pair style
9d25e7e8ecba
·Axel Kohlmeyer on Oct 14 2014, 15:16.
force device update if charge data may have changed on host
2a2877ce29eb
·Axel Kohlmeyer on Oct 14 2014, 01:45.
update pppm/old for charges that change during a run
8853fe70ed20
·Axel Kohlmeyer on Oct 14 2014, 01:29.

Oct 13 2014

bugfix for FixGPU from trung
41fff308cca4
·Axel Kohlmeyer on Oct 13 2014, 23:35.
use global constant for sqrt(pi)
c316fb098446
·Axel Kohlmeyer on Oct 13 2014, 23:21.
update USER-FEP to the latest git repo version
89424602fdf8
·Axel Kohlmeyer on Oct 13 2014, 21:49.
remove warnings from fix qeq
e8f73041964b
·Axel Kohlmeyer on Oct 13 2014, 21:47.
swap back makefiles that were accidentally swapped
d978f9e289ac
·Axel Kohlmeyer on Oct 13 2014, 21:46.
adjust labels and settings in custom makefiles
0a5c4863e14f
·Axel Kohlmeyer on Oct 13 2014, 21:23.
move custom makefiles to the designated directory MAKE/MINE
903bdf3f7f24
·Axel Kohlmeyer on Oct 13 2014, 20:20.