Diffusion lammps (lammps-icms) History

lammps/bench-accel
lammps-icmsb826d2958ef1fad2343236a…

Jan 14 2013

add test for MSM
5bcb632d2960
·Axel Kohlmeyer on Jan 14 2013, 12:17.

Oct 22 2012

adjust for name change in tip4p styles and removal of proxy styles
23d0292fe4be
·Axel Kohlmeyer on Oct 22 2012, 11:01.

Jul 3 2012

update reference outputs
c86b0e2f120f
·Axel Kohlmeyer on Jul 3 2012, 17:17.

Jun 20 2012

update inputs and reference log files for newer LAMMPS version
4fce93faf9ac
·Axel Kohlmeyer on Jun 20 2012, 03:26.

Jun 19 2012

adjust output accuracy for some data after some steps.
6367ed17e32b
·Axel Kohlmeyer on Jun 19 2012, 19:00.

Jun 16 2012

ignore lines with '/omp' when comparing.
b4e5de754978
·Axel Kohlmeyer on Jun 16 2012, 23:13.
allow updating of the reference outputs of a single directory
e7935b68d147
·Axel Kohlmeyer on Jun 16 2012, 23:13.
update a few reference outputs.
59df89155ea0
·Axel Kohlmeyer on Jun 16 2012, 23:13.

Mar 6 2012

update cutoff radii to more reasonable values
5be46b8ad932
·Axel Kohlmeyer on Mar 6 2012, 21:07.
new benchmark example with plain ewald summation
4aa5b8e8df10
·Axel Kohlmeyer on Mar 6 2012, 17:09.

Feb 12 2012

added a few more test cases
9fcefc8e04bc
·Axel Kohlmeyer on Feb 12 2012, 18:31.
update reference outputs with runs using the latest bugfixes
c6873d96e50c
·Axel Kohlmeyer on Feb 12 2012, 18:28.

Feb 5 2012

adjust to recent changes in meam/spline syntax
aa08389204ec
·Axel Kohlmeyer on Feb 5 2012, 17:43.

Feb 4 2012

benchmark/test for meam/spline based on eam.shear
8cdd0f3fa6fe
·Axel Kohlmeyer on Feb 4 2012, 05:14.

Feb 3 2012

update for benchmark test reference output.
839614981c4c
·Axel Kohlmeyer on Feb 3 2012, 03:42.

Feb 1 2012

more benchmark/test inputs
82f7e17e1b07
·Axel Kohlmeyer on Feb 1 2012, 20:34.

Jan 30 2012

another update. fix output in gauss-diel
22d64270f1e1
·Axel Kohlmeyer on Jan 30 2012, 03:27.
update reference outputs
fe5685e3addf
·Axel Kohlmeyer on Jan 30 2012, 03:21.
add benchmark for implicit solvent model
c4c895412aca
·Axel Kohlmeyer on Jan 30 2012, 02:46.

Jan 29 2012

bugfix
4dce8a5ea5fc
·Axel Kohlmeyer on Jan 29 2012, 02:22.
put tersoff/table in separate dir. fix granular
022824ac242c
·Axel Kohlmeyer on Jan 29 2012, 02:22.
add long regression tests scripts.
4c40b0626b8c
·Axel Kohlmeyer on Jan 29 2012, 00:36.

Jan 28 2012

thermo output update. add benchmark script.
ba7cbebdb5b1
·Axel Kohlmeyer on Jan 28 2012, 04:54.
update potential parameters for compatibility with tersoff/table
844ecaeb333d
·Axel Kohlmeyer on Jan 28 2012, 04:49.
more benchmark inputs from the lammps web page
d35af5c94f8e
·Axel Kohlmeyer on Jan 28 2012, 04:40.
COMB benchmark added
f461aa1f40dd
·Axel Kohlmeyer on Jan 28 2012, 04:01.

Jan 24 2012

added benchmarks for adp and airebo
3bd93ccd243e
·Axel Kohlmeyer on Jan 24 2012, 01:33.