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@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2007-01-30 00:22:05 +00:00
parent 9cdbeaf9f2
commit 209f169cbc
414 changed files with 6935 additions and 10462 deletions
Download Patch File Download Diff File Expand all files Collapse all files

40
src/neigh_gran.cpp
View File

@ -1,7 +1,7 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
@ -17,6 +17,8 @@
#include "fix_shear_history.h"
#include "error.h"
using namespace LAMMPS_NS;
/* ----------------------------------------------------------------------
granular particles
N^2 / 2 search for neighbor pairs with partial Newton's 3rd law
@ -36,11 +38,10 @@ void Neighbor::granular_nsq_no_newton()
int **partner;
double ***shearpartner;
if (history >= 0) {
npartner = ((FixShearHistory *) modify->fix[history])->npartner;
partner = ((FixShearHistory *) modify->fix[history])->partner;
shearpartner =
((FixShearHistory *) modify->fix[history])->shearpartner;
if (fix_history) {
npartner = fix_history->npartner;
partner = fix_history->partner;
shearpartner = fix_history->shearpartner;
}
double **x = atom->x;
@ -62,13 +63,13 @@ void Neighbor::granular_nsq_no_newton()
npage++;
if (npage == maxpage) {
add_pages(npage);
if (history >= 0) add_pages_history(npage);
if (fix_history) add_pages_history(npage);
}
}
n = 0;
neighptr = &pages[npage][npnt];
if (history >= 0) {
if (fix_history) {
nn = 0;
touchptr = &pages_touch[npage][npnt];
shearptr = &pages_shear[npage][3*npnt];
@ -94,7 +95,7 @@ void Neighbor::granular_nsq_no_newton()
if (rsq <= cutsq) {
neighptr[n] = j;
if (history >= 0) {
if (fix_history) {
if (rsq < radsum*radsum) {
for (m = 0; m < npartner[i]; m++)
if (partner[i][m] == tag[j]) break;
@ -121,7 +122,7 @@ void Neighbor::granular_nsq_no_newton()
}
}
if (history >= 0) {
if (fix_history) {
firsttouch[i] = touchptr;
firstshear[i] = shearptr;
}
@ -235,11 +236,10 @@ void Neighbor::granular_bin_no_newton()
int **partner;
double ***shearpartner;
if (history >= 0) {
npartner = ((FixShearHistory *) modify->fix[history])->npartner;
partner = ((FixShearHistory *) modify->fix[history])->partner;
shearpartner =
((FixShearHistory *) modify->fix[history])->shearpartner;
if (fix_history) {
npartner = fix_history->npartner;
partner = fix_history->partner;
shearpartner = fix_history->shearpartner;
}
// bin local & ghost atoms
@ -266,13 +266,13 @@ void Neighbor::granular_bin_no_newton()
npage++;
if (npage == maxpage) {
add_pages(npage);
if (history >= 0) add_pages_history(npage);
if (fix_history) add_pages_history(npage);
}
}
n = 0;
neighptr = &pages[npage][npnt];
if (history >= 0) {
if (fix_history) {
nn = 0;
touchptr = &pages_touch[npage][npnt];
shearptr = &pages_shear[npage][3*npnt];
@ -312,7 +312,7 @@ void Neighbor::granular_bin_no_newton()
if (rsq <= cutsq) {
neighptr[n] = j;
if (history >= 0) {
if (fix_history) {
if (rsq < radsum*radsum) {
for (m = 0; m < npartner[i]; m++)
if (partner[i][m] == tag[j]) break;
@ -342,7 +342,7 @@ void Neighbor::granular_bin_no_newton()
}
}
if (history >= 0) {
if (fix_history) {
firsttouch[i] = touchptr;
firstshear[i] = shearptr;
}