Diffusion lammps (efficient_neuronet) History

lammps/examples/neuronet_test
efficient_neuronet4f65214374a57ddd8a52689…

Nov 23 2016

report taking shape
7be4149876e5
·junge on Nov 23 2016, 18:29.
Confirmed correct behaviour in two-atom system
06c4402e598b
·junge on Nov 23 2016, 10:33.

Nov 22 2016

First time functional looking
dc8a7e4273f7
·junge on Nov 22 2016, 23:26.
Forces correct! just need to correct ghosts now
c2e6ebe10955
·junge on Nov 22 2016, 00:51.

Nov 21 2016

slightly messed up state
3c030b5fdba0
·junge on Nov 21 2016, 18:16.

Oct 28 2016

Added reference output, to be checked after modifs
f5a9a0b3a196
·junge on Oct 28 2016, 13:45.
Verified, yields identical results to pmd
54e59b9c658c
·junge on Oct 28 2016, 13:43.

Oct 27 2016

Runs without memory issues, not tested yet
b5ca9162c1f1
·junge on Oct 27 2016, 16:43.