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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
Download Patch File Download Diff File Expand all files Collapse all files

14
src/atom_vec_sphere.cpp
View File

@ -11,9 +11,9 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "math.h"
#include "stdlib.h"
#include "string.h"
#include <math.h>
#include <stdlib.h>
#include <string.h>
#include "atom_vec_sphere.h"
#include "atom.h"
#include "comm.h"
@ -1060,7 +1060,7 @@ void AtomVecSphere::pack_data(double **buf)
buf[i][1] = ubuf(type[i]).d;
buf[i][2] = 2.0*radius[i];
if (radius[i] == 0.0) buf[i][3] = rmass[i];
else
else
buf[i][3] = rmass[i] / (4.0*MY_PI/3.0 * radius[i]*radius[i]*radius[i]);
buf[i][4] = x[i][0];
buf[i][5] = x[i][1];
@ -1090,7 +1090,7 @@ int AtomVecSphere::pack_data_hybrid(int i, double *buf)
void AtomVecSphere::write_data(FILE *fp, int n, double **buf)
{
for (int i = 0; i < n; i++)
fprintf(fp,TAGINT_FORMAT
fprintf(fp,TAGINT_FORMAT
" %d %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e %d %d %d\n",
(tagint) ubuf(buf[i][0]).i,(int) ubuf(buf[i][1]).i,
buf[i][2],buf[i][3],
@ -1146,7 +1146,7 @@ int AtomVecSphere::pack_vel_hybrid(int i, double *buf)
void AtomVecSphere::write_vel(FILE *fp, int n, double **buf)
{
for (int i = 0; i < n; i++)
fprintf(fp,TAGINT_FORMAT
fprintf(fp,TAGINT_FORMAT
" %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e %-1.16e\n",
(tagint) ubuf(buf[i][0]).i,buf[i][1],buf[i][2],buf[i][3],
buf[i][4],buf[i][5],buf[i][6]);
@ -1181,7 +1181,7 @@ bigint AtomVecSphere::memory_usage()
if (atom->memcheck("radius")) bytes += memory->usage(radius,nmax);
if (atom->memcheck("rmass")) bytes += memory->usage(rmass,nmax);
if (atom->memcheck("omega")) bytes += memory->usage(omega,nmax,3);
if (atom->memcheck("torque"))
if (atom->memcheck("torque"))
bytes += memory->usage(torque,nmax*comm->nthreads,3);
return bytes;