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lammps/bench-accel
master

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CommitAuthorDetailsCommitted
8bbd2fc60ed5Axel Kohlmeyer
rename bench-accel directory 
Sep 7 2014
dab883c0397eAxel Kohlmeyer
update input for newer syntax 
Aug 11 2014
9b00ea6ec0fcAxel Kohlmeyer
regtest updates 
Nov 18 2013
809adf7fcb53Axel Kohlmeyer
added test case for pppm/disp derived from peptide example 
Oct 9 2013
2fed2809291bAxel Kohlmeyer
add zbl/omp pair style 
Oct 5 2013
c6a486f71ad1Axel Kohlmeyer
add test for nm/cut/coul/long 
Oct 3 2013
cb9424f53716Axel Kohlmeyer
add test for nm/cut/coul/cut 
Oct 3 2013
4c738bfa0e74Axel Kohlmeyer
add test example for nm/cut 
Oct 3 2013
cc3131dd6919Axel Kohlmeyer
add test/benchmark for table pair style 
Jul 18 2013
848fe882fd74Axel Kohlmeyer
add dpd benchmark test 
Feb 25 2013
5bcb632d2960Axel Kohlmeyer
add test for MSM 
Jan 14 2013
23d0292fe4beAxel Kohlmeyer
adjust for name change in tip4p styles and removal of proxy styles 
Oct 22 2012
c86b0e2f120fAxel Kohlmeyer
update reference outputs 
Jul 3 2012
4fce93faf9acAxel Kohlmeyer
update inputs and reference log files for newer LAMMPS version 
Jun 20 2012
6367ed17e32bAxel Kohlmeyer
adjust output accuracy for some data after some steps. 
Jun 19 2012
b4e5de754978Axel Kohlmeyer
ignore lines with '/omp' when comparing. 
Jun 16 2012
e7935b68d147Axel Kohlmeyer
allow updating of the reference outputs of a single directory 
Jun 16 2012
59df89155ea0Axel Kohlmeyer
update a few reference outputs. 
Jun 16 2012
5be46b8ad932Axel Kohlmeyer
update cutoff radii to more reasonable values 
Mar 6 2012
4aa5b8e8df10Axel Kohlmeyer
new benchmark example with plain ewald summation 
Mar 6 2012
9fcefc8e04bcAxel Kohlmeyer
added a few more test cases 
Feb 12 2012
c6873d96e50cAxel Kohlmeyer
update reference outputs with runs using the latest bugfixes 
Feb 12 2012
aa08389204ecAxel Kohlmeyer
adjust to recent changes in meam/spline syntax 
Feb 5 2012
8cdd0f3fa6feAxel Kohlmeyer
benchmark/test for meam/spline based on eam.shear 
Feb 4 2012
839614981c4cAxel Kohlmeyer
update for benchmark test reference output. 
Feb 3 2012
82f7e17e1b07Axel Kohlmeyer
more benchmark/test inputs 
Feb 1 2012
22d64270f1e1Axel Kohlmeyer
another update. fix output in gauss-diel 
Jan 30 2012
fe5685e3addfAxel Kohlmeyer
update reference outputs 
Jan 30 2012
c4c895412acaAxel Kohlmeyer
add benchmark for implicit solvent model 
Jan 30 2012
4dce8a5ea5fcAxel Kohlmeyer
bugfix 
Jan 29 2012
022824ac242cAxel Kohlmeyer
put tersoff/table in separate dir. fix granular 
Jan 29 2012
4c40b0626b8cAxel Kohlmeyer
add long regression tests scripts. 
Jan 29 2012
ba7cbebdb5b1Axel Kohlmeyer
thermo output update. add benchmark script. 
Jan 28 2012
844ecaeb333dAxel Kohlmeyer
update potential parameters for compatibility with tersoff/table 
Jan 28 2012
d35af5c94f8eAxel Kohlmeyer
more benchmark inputs from the lammps web page 
Jan 28 2012
f461aa1f40ddAxel Kohlmeyer
COMB benchmark added 
Jan 28 2012
3bd93ccd243eAxel Kohlmeyer
added benchmarks for adp and airebo 
Jan 24 2012
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