Fixed a few errors and updated citations
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15838 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -15,7 +15,7 @@ pair_style snap :pre
|
||||
[Examples:]
|
||||
|
||||
pair_style snap
|
||||
pair_coeff * * snap InP.snapcoeff In P InP.snapparam In In P P :pre
|
||||
pair_coeff * * InP.snapcoeff In P InP.snapparam In In P P :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
@ -27,9 +27,9 @@ it uses bispectrum components
|
||||
to characterize the local neighborhood of each atom
|
||||
in a very general way. The mathematical definition of the
|
||||
bispectrum calculation used by SNAP is identical
|
||||
to that used of "compute sna/atom"_compute_sna_atom.html.
|
||||
to that used by "compute sna/atom"_compute_sna_atom.html.
|
||||
In SNAP, the total energy is decomposed into a sum over
|
||||
atom energies. The energy of atom {i} is
|
||||
atom energies. The energy of atom {i } is
|
||||
expressed as a weighted sum over bispectrum components.
|
||||
|
||||
:c,image(Eqs/pair_snap.jpg)
|
||||
@ -183,8 +183,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
:line
|
||||
|
||||
:link(Thompson2014)
|
||||
[(Thompson)] Thompson, Swiler, Trott, Foiles, Tucker, under review, preprint
|
||||
available at "arXiv:1409.3880"_http://arxiv.org/abs/1409.3880
|
||||
[(Thompson)] Thompson, Swiler, Trott, Foiles, Tucker, J Comp Phys, 285, 316 (2015).
|
||||
|
||||
:link(Bartok2010)
|
||||
[(Bartok2010)] Bartok, Payne, Risi, Csanyi, Phys Rev Lett, 104, 136403 (2010).
|
||||
|
||||
Reference in New Issue
Block a user