jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

'' 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14217 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp 2015-10-30 14:53:40 +00:00
parent 8a47487461
commit dbcf968eaa
2 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
doc/pair_mgpt.html
View File

@ -172,7 +172,7 @@ d/f bands, the multi-ion potentials are evaluated on the fly during a
simulation through d- or f-state matrix multiplication, and the forces
that move the ions are determined analytically. Fast matrix-MGPT
algorithms have been developed independently by Glosli
(<span class="xref std std-ref">Glosli</span>, <a class="reference internal" href="#moriarty3"><span>Moriarty3</span></a>) and by Oppelstrup
(<a class="reference internal" href="#glosli"><span>Glosli</span></a>, <a class="reference internal" href="#moriarty3"><span>Moriarty3</span></a>) and by Oppelstrup
(<a class="reference internal" href="#oppelstrup"><span>Oppelstrup</span></a>)</p>
<p>The <em>mgpt</em> pair style calculates forces, energies, and the total
energy per atom, E_tot/N, using the Oppelstrup matrix-MGPT algorithm.

2
doc/pair_mgpt.txt
View File

@ -53,7 +53,7 @@ d/f bands, the multi-ion potentials are evaluated on the fly during a
simulation through d- or f-state matrix multiplication, and the forces
that move the ions are determined analytically. Fast matrix-MGPT
algorithms have been developed independently by Glosli
("Glosli"_#Glosi, "Moriarty3"_#Moriarty3) and by Oppelstrup
("Glosli"_#Glosli, "Moriarty3"_#Moriarty3) and by Oppelstrup
("Oppelstrup"_#Oppelstrup)
The {mgpt} pair style calculates forces, energies, and the total