ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

added support for USER-AWPMD package

Browse Source
This commit is contained in:
Steve Plimpton
2019-12-18 12:04:37 -07:00
parent b6374bacfb
commit ccc8f29d60
11 changed files with 86 additions and 46 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
src/atom.cpp
View File

@ -134,8 +134,8 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
spin = NULL;
eradius = ervel = erforce = NULL;
ervelforce = cs = csforce = NULL;
vforce = NULL;
ervelforce = NULL;
cs = csforce = vforce = NULL;
etag = NULL;
// USER-DPD package
@ -512,8 +512,8 @@ void Atom::peratom_create()
// USER-AWPMD package
add_peratom("cs",&cs,DOUBLE,0);
add_peratom("csforce",&csforce,DOUBLE,0);
add_peratom("cs",&cs,DOUBLE,2);
add_peratom("csforce",&csforce,DOUBLE,2);
add_peratom("vforce",&vforce,DOUBLE,3);
add_peratom("ervelforce",&ervelforce,DOUBLE,0);
add_peratom("etag",&etag,INT,0);