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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2027 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-08-04 19:12:50 +00:00
parent cd19c775c0
commit 5fabfc6357
3 changed files with 7 additions and 7 deletions
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2
src/COLLOID/pair_colloid.cpp
View File

@ -141,7 +141,7 @@ void PairColloid::compute(int eflag, int vflag)
K[3] *= K[3]*K[3];
K[6] = K[3]*K[3];
fR = sigma3[itype][jtype]*a12[itype][jtype]*c2*K[1]/K[3];
fpair = 4.0/15.0*sqrt(rsq)*fR*factor_lj *
fpair = 4.0/15.0*fR*factor_lj *
(2.0*(K[1]+K[2]) * (K[1]*(5.0*K[1]+22.0*K[2])+5.0*K[4]) *
sigma6[itype][jtype]/K[6]-5.0) / K[0];
if (eflag)

8
src/PERI/atom_vec_peri.cpp
View File

@ -15,7 +15,7 @@
Contributing author: Mike Parks (SNL)
------------------------------------------------------------------------- */
#include "values.h"
#include "float.h"
#include "stdlib.h"
#include "atom_vec_peri.h"
#include "atom.h"
@ -511,7 +511,7 @@ void AtomVecPeri::create_atom(int itype, double *coord)
vfrac[nlocal] = 1.0;
density[nlocal] = 1.0;
rmass[nlocal] = density[nlocal];
s0[nlocal] = MAXDOUBLE;
s0[nlocal] = DBL_MAX;
x0[nlocal][0] = coord[0];
x0[nlocal][1] = coord[1];
x0[nlocal][2] = coord[2];
@ -552,7 +552,7 @@ void AtomVecPeri::data_atom(double *coord, int imagetmp, char **values)
v[nlocal][1] = 0.0;
v[nlocal][2] = 0.0;
s0[nlocal] = MAXDOUBLE;
s0[nlocal] = DBL_MAX;
x0[nlocal][0] = coord[0];
x0[nlocal][1] = coord[1];
x0[nlocal][2] = coord[2];
@ -576,7 +576,7 @@ int AtomVecPeri::data_atom_hybrid(int nlocal, char **values)
v[nlocal][1] = 0.0;
v[nlocal][2] = 0.0;
s0[nlocal] = MAXDOUBLE;
s0[nlocal] = DBL_MAX;
x0[nlocal][0] = x[nlocal][0];
x0[nlocal][1] = x[nlocal][1];
x0[nlocal][2] = x[nlocal][2];

4
src/PERI/pair_peri_pmb.cpp
View File

@ -16,7 +16,7 @@
------------------------------------------------------------------------- */
#include "math.h"
#include "values.h"
#include "float.h"
#include "stdlib.h"
#include "string.h"
#include "pair_peri_pmb.h"
@ -204,7 +204,7 @@ void PairPeriPMB::compute(int eflag, int vflag)
ztmp = x[i][2];
itype = type[i];
jnum = npartner[i];
s0_new[i] = MAXDOUBLE;
s0_new[i] = DBL_MAX;
first = true;
for (jj = 0; jj < jnum; jj++) {