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

More cleanup to fix polarize*, access to the per-atom variables from the Atom class, and updates to doc pages

Browse Source
This commit is contained in:
Trung Nguyen
2021-06-01 11:22:14 -05:00
parent 458af788e1
commit c12f7e226b
12 changed files with 400 additions and 77 deletions
Download Patch File Download Diff File Expand all files Collapse all files

16
src/atom.cpp
View File

@ -2661,6 +2661,14 @@ void *Atom::extract(const char *name)
if (strcmp(name,"dpdTheta") == 0) return (void *) dpdTheta;
if (strcmp(name,"edpd_temp") == 0) return (void *) edpd_temp;
// USER-DIELECTRIC
if (strcmp(name,"area") == 0) return (void *) area;
if (strcmp(name,"ed") == 0) return (void *) ed;
if (strcmp(name,"em") == 0) return (void *) em;
if (strcmp(name,"epsilon") == 0) return (void *) epsilon;
if (strcmp(name,"curvature") == 0) return (void *) curvature;
if (strcmp(name,"q_unscaled") == 0) return (void *) q_unscaled;
// end of customization section
// --------------------------------------------------------------------
@ -2744,6 +2752,14 @@ int Atom::extract_datatype(const char *name)
if (strcmp(name,"dpdTheta") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"edpd_temp") == 0) return LAMMPS_DOUBLE;
// USER-DIELECTRIC
if (strcmp(name,"area") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"ed") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"em") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"epsilon") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"curvature") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"q_unscaled") == 0) return LAMMPS_DOUBLE;
// end of customization section
// --------------------------------------------------------------------