Diffusion lammps (efficient_neuronet) History

02_commands
efficient_neuronet48cf74f49ee8ea58909fb0f…

Jul 28 2016

add tests for anisotropic and triclinic box relaxation
55a138cdca6a
·Axel Kohlmeyer on Jul 28 2016, 22:47.

Jun 16 2016

update syntax in respa for fixes tests
51e86f6519dd
·Axel Kohlmeyer on Jun 16 2016, 23:55.

Jun 14 2016

3 new test cases to check adjusting the respa level for fixes
5a950e73bf89
·Axel Kohlmeyer on Jun 14 2016, 05:47.

Apr 23 2016

implement a write_coeff command to complement the recent nocoeff hacks
4482096c7b68
·Axel Kohlmeyer on Apr 23 2016, 05:09.

Apr 22 2016

use nocoeff keyword for skipping force field info when reading data file
823bb13c2b06
·Axel Kohlmeyer on Apr 22 2016, 03:18.
rename "nocoeffs" flag to "nocoeff" to be consistent with write_data
122523c51d32
·Axel Kohlmeyer on Apr 22 2016, 03:12.

Apr 21 2016

add test for new feature to read data files with force field data using zero…
c1ca20df49eb
·Axel Kohlmeyer on Apr 21 2016, 23:57.

Mar 29 2016

update tests for compute bond to match steve's changes
6e4c0fa95435
·Axel Kohlmeyer on Mar 29 2016, 13:43.

Mar 13 2016

add simple test for newly added compute bond command
6eb1ade2f0ad
·Axel Kohlmeyer on Mar 13 2016, 02:31.

Feb 18 2016

run all inputs twice: once with -screen none, onece with -log none
a8aadcc1dc25
·Axel Kohlmeyer on Feb 18 2016, 17:08.

Oct 27 2015

add some simple tests for displace_atoms
4ef17e113216
·Axel Kohlmeyer on Oct 27 2015, 00:15.

Oct 26 2015

add some simple tests for rerun.
58176fdc78c6
·Axel Kohlmeyer on Oct 26 2015, 13:32.

Oct 15 2015

add test for shake with one angle and two different bond lengths to constrain
b58667ce16bb
·Axel Kohlmeyer on Oct 15 2015, 22:54.

Sep 29 2015

add tests for dihedral style table culled from LAMMPS mail archive
6e53fc9e7dcd
·Axel Kohlmeyer on Sep 29 2015, 22:31.

Sep 28 2015

minimizer test cases
ef13e06a93c1
·Axel Kohlmeyer on Sep 28 2015, 17:32.

Sep 10 2015

finally re-enable r-RESPA tests and use is_active() to skip them for USER-OMP
06e347d0ee36
·Axel Kohlmeyer on Sep 10 2015, 23:28.

Sep 1 2015

add access to Universe::numver in info and variable
f3b15d6262e4
·Axel Kohlmeyer on Sep 1 2015, 00:03.

Aug 29 2015

adapt test inputs to "timers -> timer" command rename
02b9eeed5f18
·Axel Kohlmeyer on Aug 29 2015, 13:08.

Aug 26 2015

disable currently unsupported r-RESPA tests and re-enabled comm tests
01a5ea6fb935
·Axel Kohlmeyer on Aug 26 2015, 21:46.
disable comm_style related tests for now to validate if local test and CI agree
99c403139dbe
·Axel Kohlmeyer on Aug 26 2015, 17:52.
add test for deleting tally computes "in the middle". fails if not properly…
37c5db10afeb
·Axel Kohlmeyer on Aug 26 2015, 13:33.
correct path to data file.
ee18ec8ec217
·Axel Kohlmeyer on Aug 26 2015, 07:11.
more tests for recently added features
9a5265221c70
·Axel Kohlmeyer on Aug 26 2015, 04:23.

Aug 17 2015

test input for various run style respa options
b5320aceff42
·Axel Kohlmeyer on Aug 17 2015, 02:22.
added minimal tests for empty inputs and read_data
80ce074de02a
·Axel Kohlmeyer on Aug 17 2015, 02:10.
some more processors and load balancing inputs
59efd6cb7812
·Axel Kohlmeyer on Aug 17 2015, 00:21.
add some commands for communication and load balancing
75efe7da4593
·Axel Kohlmeyer on Aug 17 2015, 00:08.

lammps/test/02_commandsefficient_neuronet48cf74f49ee8ea58909fb0f…

Jul 28 2016

Jun 16 2016

Jun 14 2016

Apr 23 2016

Apr 22 2016

Apr 21 2016

Mar 29 2016

Mar 13 2016

Feb 18 2016

Oct 27 2015

Oct 26 2015

Oct 15 2015

Sep 29 2015

Sep 28 2015

Sep 10 2015

Sep 1 2015

Aug 29 2015

Aug 26 2015

Aug 17 2015

lammps/test/02_commands
efficient_neuronet48cf74f49ee8ea58909fb0f…