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@3247 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2009-10-29 22:03:02 +00:00
parent 191f7663d1
commit 7a60bdcb9a
15 changed files with 103 additions and 53 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
src/pair_table.cpp
View File

@ -75,7 +75,7 @@ void PairTable::compute(int eflag, int vflag)
int *ilist,*jlist,*numneigh,**firstneigh;
Table *tb;
table_lookup_t rsq_lookup;
union_int_float_t rsq_lookup;
evdwl = 0.0;
if (eflag || vflag) ev_setup(eflag,vflag);
@ -394,7 +394,7 @@ void PairTable::read_table(Table *tb, char *file, char *keyword)
int itmp;
double rtmp;
table_lookup_t rsq_lookup;
union_int_float_t rsq_lookup;
fgets(line,MAXLINE,fp);
for (int i = 0; i < tb->ninput; i++) {
@ -677,7 +677,7 @@ void PairTable::compute_table(Table *tb)
if (tabstyle == BITMAP) {
double r;
table_lookup_t rsq_lookup;
union_int_float_t rsq_lookup;
int masklo,maskhi;
// linear lookup tables of length ntable = 2^n
@ -694,7 +694,7 @@ void PairTable::compute_table(Table *tb)
tb->df = (double *) memory->smalloc(ntable*sizeof(double),"pair:df");
tb->drsq = (double *) memory->smalloc(ntable*sizeof(double),"pair:drsq");
table_lookup_t minrsq_lookup;
union_int_float_t minrsq_lookup;
minrsq_lookup.i = 0 << tb->nshiftbits;
minrsq_lookup.i |= maskhi;
@ -935,7 +935,7 @@ double PairTable::single(int i, int j, int itype, int jtype, double rsq,
tb->deltasq6;
fforce = factor_lj * value;
} else {
table_lookup_t rsq_lookup;
union_int_float_t rsq_lookup;
rsq_lookup.f = rsq;
itable = rsq_lookup.i & tb->nmask;
itable >>= tb->nshiftbits;