ICODE-ADC/lammps
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remove dead code

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This commit is contained in:
Axel Kohlmeyer
2021-02-08 17:26:39 -05:00
parent d42a165ccf
commit c5bb414c37
1 changed files with 2 additions and 2 deletions
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4
src/USER-REACTION/fix_bond_react.cpp
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@ -3273,7 +3273,7 @@ int FixBondReact::insert_atoms(tagint **my_mega_glove, int iupdate)
// inserting atoms based off fix_deposit->pre_exchange
int flag;
imageint *imageflags;
double **coords,lamda[3],rotmat[3][3],vnew[3];
double **coords,lamda[3],rotmat[3][3];
double *newcoord;
double **v = atom->v;
double t,delx,dely,delz,rsq;
@ -3352,7 +3352,7 @@ int FixBondReact::insert_atoms(tagint **my_mega_glove, int iupdate)
fit_incr++;
}
}
double rmsd = superposer.Superpose(xfrozen, xmobile);
superposer.Superpose(xfrozen, xmobile);
for (int i = 0; i < 3; i++)
for (int j = 0; j < 3; j++)
rotmat[i][j] = superposer.R[i][j];