Diffusion lammps (efficient_neuronet) History

lammps/src/NEURONET
efficient_neuroneta96d5dcf7eedbfe52462f3c…

Nov 3 2016

Fixed pointless re-allocations
a96d5dcf7eed
·junge on Nov 3 2016, 17:57.
Fixed handling of periodic ghost atoms
e9c79e2ccc41
·junge on Nov 3 2016, 15:45.

Oct 28 2016

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.

Oct 26 2016

All module variables are now class members
b8881218030b
·junge on Oct 26 2016, 14:48.
restart read/write added
c40fdd35b65a
·junge on Oct 26 2016, 12:46.
Compiles, untested, no restart
7a23f3894a40
·junge on Oct 26 2016, 12:03.

Oct 24 2016

Now links (except mpi)
8bdd57215fa3
·junge on Oct 24 2016, 11:51.
unfunctional state
dadf60427b97
·junge on Oct 24 2016, 07:26.