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remove some more dead code in CG-DNA package

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This commit is contained in:
Axel Kohlmeyer
2022-02-11 07:41:09 -05:00
parent d750ef4890
commit 1f6c4089bd
2 changed files with 1 additions and 16 deletions
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5
src/CG-DNA/bond_oxdna_fene.cpp
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@ -24,7 +24,6 @@
#include "neighbor.h"
#include "update.h"
#include "atom_vec_ellipsoid.h"
#include "math_extra.h"
#include "pair.h"
@ -161,10 +160,6 @@ void BondOxdnaFene::compute(int eflag, int vflag)
double **f = atom->f;
double **torque = atom->torque;
AtomVecEllipsoid *avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
AtomVecEllipsoid::Bonus *bonus = avec->bonus;
int *ellipsoid = atom->ellipsoid;
int **bondlist = neighbor->bondlist;
int nbondlist = neighbor->nbondlist;
int nlocal = atom->nlocal;

12
src/CG-DNA/pair_oxdna2_coaxstk.cpp
View File

@ -18,7 +18,6 @@
#include "pair_oxdna2_coaxstk.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
#include "comm.h"
#include "error.h"
#include "force.h"
@ -102,7 +101,7 @@ void PairOxdna2Coaxstk::compute(int eflag, int vflag)
{
double delf[3],delta[3],deltb[3]; // force, torque increment;
double evdwl,fpair,finc,tpair,factor_lj;
double evdwl,finc,tpair,factor_lj;
double v1tmp[3];
double delr_ss[3],delr_ss_norm[3],rsq_ss,r_ss,rinv_ss;
double delr_st[3],delr_st_norm[3],rsq_st,r_st,rinv_st;
@ -132,10 +131,6 @@ void PairOxdna2Coaxstk::compute(int eflag, int vflag)
int *alist,*blist,*numneigh,**firstneigh;
double *special_lj = force->special_lj;
AtomVecEllipsoid *avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
AtomVecEllipsoid::Bonus *bonus = avec->bonus;
int *ellipsoid = atom->ellipsoid;
int a,b,ia,ib,anum,bnum,atype,btype;
double f2,f4f6t1,f4t4,f4t5,f4t6;
@ -322,8 +317,6 @@ void PairOxdna2Coaxstk::compute(int eflag, int vflag)
// force, torque and virial contribution for forces between stacking sites
fpair = 0.0;
delf[0] = 0.0;
delf[1] = 0.0;
delf[2] = 0.0;
@ -338,7 +331,6 @@ void PairOxdna2Coaxstk::compute(int eflag, int vflag)
// radial force
finc = -df2 * f4f6t1 * f4t4 * f4t5 * f4t6 * rinv_st * factor_lj;
fpair += finc;
delf[0] += delr_st[0] * finc;
delf[1] += delr_st[1] * finc;
@ -348,7 +340,6 @@ void PairOxdna2Coaxstk::compute(int eflag, int vflag)
if (theta5 && theta5p) {
finc = -f2 * f4f6t1 * f4t4 * df4t5 * f4t6 * rinv_st * factor_lj;
fpair += finc;
delf[0] += (delr_st_norm[0]*cost5 - az[0]) * finc;
delf[1] += (delr_st_norm[1]*cost5 - az[1]) * finc;
@ -360,7 +351,6 @@ void PairOxdna2Coaxstk::compute(int eflag, int vflag)
if (theta6 && theta6p) {
finc = -f2 * f4f6t1* f4t4 * f4t5 * df4t6 * rinv_st * factor_lj;
fpair += finc;
delf[0] += (delr_st_norm[0]*cost6 - bz[0]) * finc;
delf[1] += (delr_st_norm[1]*cost6 - bz[1]) * finc;