Diffusion lammps (lammm-master-deprecated) History

lammps/src
lammm-master-deprecateddf8af5e1d75b7e1c4fb32fa…

Apr 21 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
df8af5e1d75b
·Axel Kohlmeyer on Apr 21 2016, 12:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14857 f3b2605a-c512-4ea7…
2ce937a07090
·sjplimp on Apr 21 2016, 01:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14856 f3b2605a-c512-4ea7…
95c1623665e7
·sjplimp on Apr 21 2016, 01:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14855 f3b2605a-c512-4ea7…
93bc5c8be6c8
·sjplimp on Apr 21 2016, 00:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14854 f3b2605a-c512-4ea7…
99209263b541
·sjplimp on Apr 21 2016, 00:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14853 f3b2605a-c512-4ea7…
83cd2e5932ef
·sjplimp on Apr 21 2016, 00:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14852 f3b2605a-c512-4ea7…
778165ed4bd6
·sjplimp on Apr 21 2016, 00:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14851 f3b2605a-c512-4ea7…
6bab5880f529
·sjplimp on Apr 21 2016, 00:13.

Apr 20 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14850 f3b2605a-c512-4ea7…
cc11bb9de8eb
·sjplimp on Apr 20 2016, 23:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14849 f3b2605a-c512-4ea7…
268d59866f0a
·sjplimp on Apr 20 2016, 22:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14848 f3b2605a-c512-4ea7…
b1ab6b98e61a
·sjplimp on Apr 20 2016, 21:37.

Apr 19 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
891263b86813
·Axel Kohlmeyer on Apr 19 2016, 12:21.

Apr 18 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14843 f3b2605a-c512-4ea7…
17fd6b2345a6
·sjplimp on Apr 18 2016, 16:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14840 f3b2605a-c512-4ea7…
b595eb9d0e59
·sjplimp on Apr 18 2016, 16:00.

Apr 16 2016

whitespace cleanup
6e216b344dcf
·Axel Kohlmeyer on Apr 16 2016, 20:47.
use generic byte order preprocessor detection for fast math routines
9297032ed4e1
·Axel Kohlmeyer on Apr 16 2016, 20:43.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
fb4577b4e6e5
·Axel Kohlmeyer on Apr 16 2016, 12:29.
Merge branch 'coul-long-gpu-fixed' of https://github.com/ndtrung81/lammps into…
dc0734b3f70e
·Axel Kohlmeyer on Apr 16 2016, 10:40.
Fixed bugs in coul/long/gpu
9c6c7b2d0cba
·ndtrung on Apr 16 2016, 07:26.

Apr 15 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14837 f3b2605a-c512-4ea7…
7a0c8f23d9bb
·sjplimp on Apr 15 2016, 18:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14835 f3b2605a-c512-4ea7…
e18f5a903bba
·sjplimp on Apr 15 2016, 18:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14834 f3b2605a-c512-4ea7…
552da3c342d7
·sjplimp on Apr 15 2016, 18:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7…
eb8fdc4ab680
·sjplimp on Apr 15 2016, 18:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14828 f3b2605a-c512-4ea7…
32509da72196
·sjplimp on Apr 15 2016, 18:06.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
d24c22860829
·Axel Kohlmeyer on Apr 15 2016, 12:11.
make certain that "nevery" flags have sane values
f81130561eb4
·Axel Kohlmeyer on Apr 15 2016, 11:47.

Apr 14 2016

add storage for global pRNG settings
b2b94ec64511
·Axel Kohlmeyer on Apr 14 2016, 22:56.
friend is no longer needed
1da78251350c
·Axel Kohlmeyer on Apr 14 2016, 22:55.
Adding set method in pair for Kokkos
3e4ce842ff0a
·stamoor on Apr 14 2016, 19:51.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
f7c3c74bbcca
·Axel Kohlmeyer on Apr 14 2016, 12:19.

Apr 13 2016

Fixing Kokkos default values
e564fc4de3bf
·stamoor on Apr 13 2016, 23:38.

Apr 12 2016

add dipole/chunk command following the implementation of measure dipole in VMD
b984e055bfcb
·Axel Kohlmeyer on Apr 12 2016, 22:17.
include hidden "noinit" flag for write_restart
03f0298a1300
·Axel Kohlmeyer on Apr 12 2016, 14:27.

Apr 11 2016

correctly handle the case of nmaxint being initialized to -1
3476356bdca4
·Axel Kohlmeyer on Apr 11 2016, 20:29.
avoid segfault due to using a class after it was deleted
aaea1726ebd5
·Axel Kohlmeyer on Apr 11 2016, 02:07.

Apr 8 2016

give info whether coulomb tables or analytical erfc() is used
fab6f20c36ca
·Axel Kohlmeyer on Apr 8 2016, 21:20.
provide info about hybrid sub-styles
e2f132180325
·Axel Kohlmeyer on Apr 8 2016, 21:19.
rename exp2_fast() to exp2_x86(), since it is meant for x86 mostly
c2b65e40f643
·Axel Kohlmeyer on Apr 8 2016, 21:19.
use higher precision constant in computing ewald tables.
48e13f8684b8
·Axel Kohlmeyer on Apr 8 2016, 20:23.
refactoring and extending special math functions for faster accurate erfc() in…
0038fc1d977f
·Axel Kohlmeyer on Apr 8 2016, 17:48.
minor cleanups for colvars. update to version 2016-04-08.
266c2476556c
·Axel Kohlmeyer on Apr 8 2016, 15:43.
import colvars code with multi-thread support
5a26b927bcff
·Axel Kohlmeyer on Apr 8 2016, 15:30.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
247e55937a78
·Axel Kohlmeyer on Apr 8 2016, 12:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14816 f3b2605a-c512-4ea7…
dd562698ef4d
·sjplimp on Apr 8 2016, 00:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14814 f3b2605a-c512-4ea7…
9aa7608bd0d7
·sjplimp on Apr 8 2016, 00:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14813 f3b2605a-c512-4ea7…
9c1857fa6297
·sjplimp on Apr 8 2016, 00:22.

Apr 7 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14809 f3b2605a-c512-4ea7…
13c554900998
·sjplimp on Apr 7 2016, 23:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14806 f3b2605a-c512-4ea7…
1e180da83007
·sjplimp on Apr 7 2016, 23:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7…
8e36364f5cea
·sjplimp on Apr 7 2016, 23:04.
fix segfault when using per chunk computes on systems without local atoms
83c805402124
·Axel Kohlmeyer on Apr 7 2016, 21:26.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
449dad90b341
·Axel Kohlmeyer on Apr 7 2016, 12:16.
Kokkos enhancements
65f40aa34d14
·stamoor on Apr 7 2016, 01:08.

Apr 5 2016

correct include files to not include unneeded or non-existing files
4eb5e0825e2e
·Axel Kohlmeyer on Apr 5 2016, 20:35.
Merge branch 'fix-manifold-factory' of https://github.com/Pakketeretet2/lammps…
8f714cced23c
·Axel Kohlmeyer on Apr 5 2016, 19:04.
Added documentation for spine_two
3bbf2592a472
·Stefan Paquay on Apr 5 2016, 18:13.
added manifold_spine_two to manifold_factory
63d4ddb9f8e3
·Stefan Paquay on Apr 5 2016, 16:23.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
91c712ec451a
·Axel Kohlmeyer on Apr 5 2016, 12:22.
Merge branch 'merge-pull-46' into lammps-icms
5a3f2e93a050
·Axel Kohlmeyer on Apr 5 2016, 02:18.
add contibutor attribution to .cpp file for morse/soft
48f9dd832cce
·Axel Kohlmeyer on Apr 5 2016, 02:18.
remove unused variables
e138d23016ee
·Axel Kohlmeyer on Apr 5 2016, 02:05.
some cleanup and added credits to README for USER-FEP contribution
9137610a4fd7
·Axel Kohlmeyer on Apr 5 2016, 02:04.
Merge branch 'add-morse-soft' of https://github.com/Pakketeretet2/lammps into…
a6df142b8e9b
·Axel Kohlmeyer on Apr 5 2016, 01:50.
Fixing bug in fix efield
83796feb888e
·stamoor on Apr 5 2016, 00:24.

Apr 4 2016

forgot modification of Install-script.
6ad21affd539
·Stefan Paquay on Apr 4 2016, 23:40.
Added softcore pair_morse
4976543b1955
·Stefan Paquay on Apr 4 2016, 23:39.
apply correct bugfix from aidan
21baa459b9bd
·Axel Kohlmeyer on Apr 4 2016, 23:38.
fixed bug in triclinic case
5ebf01ec79ca
·athomps on Apr 4 2016, 23:07.
fixed bug in triclinic case
25992ae9f7c4
·athomps on Apr 4 2016, 23:01.
reintroduce steve p style whitespace around comments
cc10fa32c50c
·Axel Kohlmeyer on Apr 4 2016, 22:15.
Merge branch 'master' of https://github.com/stephanmg/lammps into merge-pull-45
9a4b91992bc5
·Axel Kohlmeyer on Apr 4 2016, 22:11.
whitespace cleanup
c3da5dc396fa
·Axel Kohlmeyer on Apr 4 2016, 22:00.
Formatting.
63612f33acd1
·stephanmg on Apr 4 2016, 21:59.
Check for errors (flag is set) in lammps_gather_atoms and lammps_scatter_atoms…
f0234946229c
·stephanmg on Apr 4 2016, 21:57.
Merge branch 'add-manifold-spine-two' of https://github.
a926707df5c7
·Axel Kohlmeyer on Apr 4 2016, 21:56.
guess based attempt to resolve problems with compute voronoi/atom for triclinic…
bf4c83ab7243
·Axel Kohlmeyer on Apr 4 2016, 21:55.
consistently return from all MPI ranks, if system is not ready for…
7af88e705a6a
·Axel Kohlmeyer on Apr 4 2016, 21:40.
Done fixing manifold_spine_two
d3d50998edd9
·Stefan Paquay on Apr 4 2016, 20:06.
cleaned up code, replaced pow with powint.
89cf1a54742e
·Stefan Paquay on Apr 4 2016, 19:52.
Added option to set power for manifold_spine
141eb76933ed
·Stefan Paquay on Apr 4 2016, 18:18.
Added option to change power of manifold_spine.
a10dca72cd29
·Stefan Paquay on Apr 4 2016, 18:10.
Added option to change power of manifold_spine.
30a15456dfc9
·Stefan Paquay on Apr 4 2016, 18:01.
removed some branches.
8446210d73f9
·Stefan Paquay on Apr 4 2016, 17:48.

Mar 31 2016

Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
51ec2b85836b
·Axel Kohlmeyer on Mar 31 2016, 16:22.
add scaled error function complement for higher precision coul/long
7833f9649376
·Axel Kohlmeyer on Mar 31 2016, 16:22.

Mar 30 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
cda6306b69e2
·Axel Kohlmeyer on Mar 30 2016, 13:05.
enable more thermostat fixes for use with the temper command
9fc32cb308d7
·Axel Kohlmeyer on Mar 30 2016, 01:38.

Mar 29 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14799 f3b2605a-c512-4ea7…
aaa32cfd8b8b
·sjplimp on Mar 29 2016, 18:16.
use correct initialization order in thyla_part class
d30475111b1f
·Axel Kohlmeyer on Mar 29 2016, 13:02.
improved logic checking for incomple potential files in EIM
763c95b08ff4
·Axel Kohlmeyer on Mar 29 2016, 13:02.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
b3d2b951f527
·Axel Kohlmeyer on Mar 29 2016, 13:00.
small updates to address issues flagged by coverity scan
5fb8bad60e5d
·Axel Kohlmeyer on Mar 29 2016, 00:14.

Mar 28 2016

port test for inconsistent force from pair table to bond table
d1dbbe86c496
·Axel Kohlmeyer on Mar 28 2016, 21:57.
add test for short file reads to pair table
979c57bf1952
·Axel Kohlmeyer on Mar 28 2016, 21:57.
more improvements and bugfixes to bond_write
921f77bcd905
·Axel Kohlmeyer on Mar 28 2016, 21:37.
approximate FP flags and adapt bond_write to match the quirks of Bond::single()
7f35acc57ad9
·Axel Kohlmeyer on Mar 28 2016, 21:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14794 f3b2605a-c512-4ea7…
0c3875c602cf
·sjplimp on Mar 28 2016, 17:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14790 f3b2605a-c512-4ea7…
b5591e451871
·sjplimp on Mar 28 2016, 17:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14789 f3b2605a-c512-4ea7…
7cea607190b6
·sjplimp on Mar 28 2016, 17:04.
Merge branch 'trung-tersoff-update' into lammps-icms
0dfaf71ffed4
·Axel Kohlmeyer on Mar 28 2016, 13:23.
assorted dead code removal
d53bc8bb83df
·Axel Kohlmeyer on Mar 28 2016, 13:22.

lammps/srclammm-master-deprecateddf8af5e1d75b7e1c4fb32fa…

Apr 21 2016

Apr 20 2016

Apr 19 2016

Apr 18 2016

Apr 16 2016

Apr 15 2016

Apr 14 2016

Apr 13 2016

Apr 12 2016

Apr 11 2016

Apr 8 2016

Apr 7 2016

Apr 5 2016

Apr 4 2016

Mar 31 2016

Mar 30 2016

Mar 29 2016

Mar 28 2016

lammps/src
lammm-master-deprecateddf8af5e1d75b7e1c4fb32fa…