Diffusion lammps (master) History

History
master98713680ec1bd3adf1573bb…

May 17 2017

added alternative linking line for intel mkl
98713680ec1b
·Christian Negre on May 17 2017, 19:36.

Mar 22 2017

added virial
7ed500e8291b
·Christian Negre on Mar 22 2017, 00:09.

Mar 9 2017

Makefile.lammps.gfortran for latte
3298c379821d
·Christian Negre on Mar 9 2017, 22:30.

Mar 2 2017

removed fix_latte from src folder
5c6b0cc85c5e
·Christian Negre on Mar 2 2017, 00:34.

Mar 1 2017

latte in added
48ed963fd2f4
·Christian Negre on Mar 1 2017, 20:05.
latte.in added
1025c25548f1
·Christian Negre on Mar 1 2017, 17:55.
params added
78a8f75a8f31
·Christian Negre on Mar 1 2017, 17:53.

Feb 28 2017

added sucrose latte min example
9736fb3be845
·Christian Negre on Feb 28 2017, 18:40.

Feb 24 2017

min latte partially fixed
2dcbc805ba62
·Christian Negre on Feb 24 2017, 02:20.

Jan 19 2017

Makefile for latte_dev
6d47cf350c52
·Christian Negre on Jan 19 2017, 23:42.

Jan 13 2017

Makefile.lammps.gfortran
aaa7dca21bfa
·Christian Negre on Jan 13 2017, 01:13.
Makefile.lammps.gfortran
6bd17be454d2
·Christian Negre on Jan 13 2017, 00:58.

Jan 12 2017

Makefile.lammps.gfortran
f51ddf8450a0
·Christian Negre on Jan 12 2017, 21:50.

Jan 10 2017

Makefile.lammps.gfortran changed
1f6cfb1b3179
·Christian Negre on Jan 10 2017, 18:56.

Jan 5 2017

Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt
e5906dfba0af
·Christian Negre on Jan 5 2017, 23:37.
cleanup
967cdd947ef9
·Christian Negre on Jan 5 2017, 23:37.

Dec 15 2016

fix_latte unpdated
a58f7631c096
·Christian Negre on Dec 15 2016, 18:57.

Dec 14 2016

Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt
cf4010474dd5
·Steve Plimpton on Dec 14 2016, 20:50.
Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt
766b3fa4577c
·Richard Zamora on Dec 14 2016, 19:49.
test push
ee4d1b340b7c
·Richard Zamora on Dec 14 2016, 19:48.
updated version of fix latte from SJP
07d9f9d66e19
·Steve Plimpton / Richard Zamora on Dec 14 2016, 19:48.
changes in fix_latte
f209c8c129fe
·Christian Negre / Richard Zamora on Dec 14 2016, 19:48.
changes in latte makefile for lattelib and README
ef8d50733883
·Christian Negre / Richard Zamora on Dec 14 2016, 19:48.
changes for lattelib
e59552c2ecba
·Christian Negre / Richard Zamora on Dec 14 2016, 19:48.
initial dummy version of fix_latte.cpp
7eb05b33fb1d
·Steve Plimpton / Richard Zamora on Dec 14 2016, 19:48.
test push
544e23f9714f
·Richard Zamora / Steve Plimpton on Dec 14 2016, 19:38.
updated version of fix latte from SJP
16b15a636cfc
·Steve Plimpton on Dec 14 2016, 19:38.
changes in fix_latte
d43bd57a40d9
·Christian Negre / Steve Plimpton on Dec 14 2016, 19:38.
changes in latte makefile for lattelib and README
b912db5c73a1
·Christian Negre / Steve Plimpton on Dec 14 2016, 19:38.
changes for lattelib
765fe3cdfe67
·Christian Negre / Steve Plimpton on Dec 14 2016, 19:38.
initial dummy version of fix_latte.cpp
031d4acde863
·Steve Plimpton on Dec 14 2016, 19:38.
Merge pull request #185 from akohlmey/new-neighbor
624c57e9dacb
·sjplimp / GitHub on Dec 14 2016, 00:24.
Merge pull request #298 from akohlmey/collected-small-fixes
f3b355bcbea7
·sjplimp / GitHub on Dec 14 2016, 00:23.
added functionity to lib interface
ae5764beac4e
·Steve Plimpton on Dec 14 2016, 00:22.

Dec 12 2016

add deleted file in package to purge list
fda43c00fd99
·Axel Kohlmeyer on Dec 12 2016, 19:22.
Merge pull request #53 from stanmoore1/new-neighbor
b34be30be6f5
·Axel Kohlmeyer / GitHub on Dec 12 2016, 19:18.
Fixing Kokkos compile error
13b6196b8235
·Stan Moore on Dec 12 2016, 18:47.
Whitespace change
baf55c90f472
·Stan Moore on Dec 12 2016, 17:25.
Whitespace change
770f5d0bf736
·Stan Moore on Dec 12 2016, 17:24.
Updating to master
a31b00965a81
·Stan Moore on Dec 12 2016, 17:18.

Dec 10 2016

Merging
a5e46e3e6ad9
·Stan Moore on Dec 10 2016, 00:20.
Merging pull request
31be0da59008
·Stan Moore on Dec 10 2016, 00:17.
Merge pull request #1 from timattox/new-neighbor
0f3b2544a13c
·stanmoore1 / GitHub on Dec 10 2016, 00:08.
Merge branch 'new-neighbor' into new-neighbor
586514e05c51
·stanmoore1 / GitHub on Dec 10 2016, 00:08.

Dec 9 2016

More changes for Kokkos neighbor
43c459ba5694
·Stan Moore on Dec 9 2016, 23:56.
Merge pull request #52 from timattox/new-neighbor
b5c3d2f66c25
·Axel Kohlmeyer / GitHub on Dec 9 2016, 23:51.
USER-DPD: Make fix_shardlow request its own SSA-specific neighbor list, instead…
5187cb97e5f1
·Tim Mattox on Dec 9 2016, 22:42.
Prevent neighbor list copies between SSA and non-SSA neighbor list requests.
eff503e56c1f
·Tim Mattox on Dec 9 2016, 22:39.
make the output of the %CPU/OpenMP threads line consistent with compiling in…
cdcebab3bd63
·Axel Kohlmeyer on Dec 9 2016, 20:43.
make fix gcmc command overview consistent
ddf678da5161
·Axel Kohlmeyer on Dec 9 2016, 20:30.
Small tweaks to Kokkos neighbor
435421301b0b
·Stan Moore on Dec 9 2016, 16:37.

Dec 8 2016

Removing used Kokkos file
9b48c49f8348
·Stan Moore on Dec 8 2016, 17:18.
Fixed small typos in doc
d3d5ac17bf67
·Efrem Braun on Dec 8 2016, 04:37.

Dec 7 2016

Kokkos neighbor refactor
8318c6781697
·Stan Moore on Dec 7 2016, 21:00.
Merge branch 'new-neighbor' of github.com:akohlmey/lammps into new-neighbor
7c61dbf5e209
·Axel Kohlmeyer on Dec 7 2016, 19:43.
Merge branch 'master' into new-neighbor
39a12b15d7ea
·Axel Kohlmeyer on Dec 7 2016, 19:40.

Dec 1 2016

test push
5f78c2b6a50f
·Richard Zamora on Dec 1 2016, 23:14.
updated version of fix latte from SJP
45b85b1686e4
·Steve Plimpton on Dec 1 2016, 22:50.

Nov 30 2016

30Nov16 patch
fb3f597f411c
·Steve Plimpton on Nov 30 2016, 22:04.
Merge pull request #289 from akohlmey/collected-updates-and-bugfixes
d14814ae2efe
·sjplimp / GitHub on Nov 30 2016, 22:02.
new compute global/atom command, also bug fix for descending dump sorts
beb5a30f6750
·Steve Plimpton on Nov 30 2016, 22:01.
fix typo
7ddb6670c02a
·Axel Kohlmeyer on Nov 30 2016, 06:12.

Nov 29 2016

simplify code
789e62388f44
·Axel Kohlmeyer on Nov 29 2016, 15:03.
update format
7d098bff90d4
·Jakub Krajniak / Axel Kohlmeyer on Nov 29 2016, 15:01.
dihedral_nharmonic: added writing coefficient by write_data
1d970d3cdf50
·Jakub Krajniak / Axel Kohlmeyer on Nov 29 2016, 15:01.
fix typo in compute cluster/atom docs
42d430168b8a
·Axel Kohlmeyer on Nov 29 2016, 13:24.
avoid issues detected by coverity scan
5ff5bc2a6ce2
·Axel Kohlmeyer on Nov 29 2016, 03:34.

Nov 28 2016

changes in fix_latte
fe99fc287d2f
·Christian Negre on Nov 28 2016, 23:29.
correct broken link to USER-SMD docs PDF
02ae2d218af5
·Axel Kohlmeyer on Nov 28 2016, 17:34.

Nov 24 2016

explicitly disallow dynamic groups with compute rdf
470908fc939d
·Axel Kohlmeyer on Nov 24 2016, 11:46.
bug fix for dump sort in descending order
6759630c1680
·Steve Plimpton on Nov 24 2016, 01:08.

Nov 23 2016

fix typo and USER-OMP support omission
87781771baf8
·Axel Kohlmeyer on Nov 23 2016, 15:02.

Nov 22 2016

rename compute pressure/grem to compute PRESSURE/GREM
df46b9aa38fc
·Axel Kohlmeyer on Nov 22 2016, 21:25.
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into…
647c6f00ce2b
·Axel Kohlmeyer on Nov 22 2016, 20:51.
small typo and changes
237307eda238
·dstelter92 on Nov 22 2016, 18:16.
bugfix when parsing mpirun
d58dd4f15989
·dstelter92 on Nov 22 2016, 18:13.
added readme for grem examples
ae70f1090f18
·dstelter92 on Nov 22 2016, 18:05.
final prep for 22Nov patch
59d100ab57f6
·Steve Plimpton on Nov 22 2016, 17:23.
Merge pull request #288 from akohlmey/moltemplate-1.40
61e71d23eded
·sjplimp / GitHub on Nov 22 2016, 16:51.
Merge pull request #287 from rbberger/pylammps/docs
b6f2f0e6e95f
·sjplimp / GitHub on Nov 22 2016, 16:50.
Merge pull request #286 from akohlmey/small-fixes-and-updates
ff0441ac164e
·sjplimp / GitHub on Nov 22 2016, 16:49.
Merge pull request #285 from akohlmey/fix-ipi-update
41907d3110de
·sjplimp / GitHub on Nov 22 2016, 16:48.
small changes to temper/grem commands
b95f255af4d4
·Steve Plimpton on Nov 22 2016, 16:47.
Merge pull request #283 from akohlmey/grem-feature
d7b542101ae8
·sjplimp / GitHub on Nov 22 2016, 16:15.
tweaked author syntax
0ffa50f8e87a
·Steve Plimpton on Nov 22 2016, 16:15.

Nov 21 2016

small comment/whitespace tweak
78932159642f
·Axel Kohlmeyer on Nov 21 2016, 18:46.
removed extra file
3dff9f20184e
·dstelter92 on Nov 21 2016, 18:05.
modified temper_grem name to fit conventions, re-ran example to match
dab232c542c1
·dstelter92 on Nov 21 2016, 18:02.
update bundled version of moltemplate to v1.40
9e9d9d5aa541
·Axel Kohlmeyer on Nov 21 2016, 17:34.

Nov 20 2016

Merge pull request #49 from epfl-cosmo/fix-ipi
c982b174a236
·Axel Kohlmeyer / GitHub on Nov 20 2016, 01:36.
A tiny bugfix for the reset flag, and a brief explanation of the changes
87a5a35bad56
·Michele Ceriotti on Nov 20 2016, 00:44.
Merge branch 'fix-ipi-update' of https://github.com/akohlmey/lammps into fix-ipi
fd174ce2b1bc
·Michele Ceriotti on Nov 20 2016, 00:04.

Nov 19 2016

Merge branch 'master' of github.com:lammps/lammps
b11f376a4f89
·Michele Ceriotti on Nov 19 2016, 23:25.
correct accelerator flags for dpd styles in pair style overview
230b29eae652
·Axel Kohlmeyer on Nov 19 2016, 17:47.
Created PyLammps documentation
2383c31f1565
·Richard Berger on Nov 19 2016, 07:58.

Nov 18 2016

be more thorough in initializing optional data in pair style dpd/fdt/energy
e175a18bdbd0
·Axel Kohlmeyer on Nov 18 2016, 22:18.
update .gitignore for recent addition
a5bde82e3759
·Axel Kohlmeyer on Nov 18 2016, 21:38.
also remove generated html files with 'make clean' in docs folder
d787afcca964
·Axel Kohlmeyer on Nov 18 2016, 21:37.
minor cleanups
176cde8ed32b
·Axel Kohlmeyer on Nov 18 2016, 21:36.
Merge branch 'master' into grem-feature
2862c2081501
·Axel Kohlmeyer on Nov 18 2016, 20:51.

Historymaster98713680ec1bd3adf1573bb…

May 17 2017

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Mar 9 2017

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Mar 1 2017

Feb 28 2017

Feb 24 2017

Jan 19 2017

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Jan 12 2017

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Dec 15 2016

Dec 14 2016

Dec 12 2016

Dec 10 2016

Dec 9 2016

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Dec 7 2016

Dec 1 2016

Nov 30 2016

Nov 29 2016

Nov 28 2016

Nov 24 2016

Nov 23 2016

Nov 22 2016

Nov 21 2016

Nov 20 2016

Nov 19 2016

Nov 18 2016

History
master98713680ec1bd3adf1573bb…