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Fixed more whitespace issues

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This commit is contained in:
Oliver Henrich
2021-11-03 11:44:29 +00:00
parent a37a113044
commit fc4fdd09ef
4 changed files with 15 additions and 21 deletions
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29
src/CG-DNA/bond_oxdna_fene.cpp
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@ -146,14 +146,13 @@ void BondOxdnaFene::ev_tally_xyz(int i, int j, int nlocal, int newton_bond, doub
------------------------------------------------------------------------- */
void BondOxdnaFene::compute(int eflag, int vflag)
{
int a, b, in, type;
double delf[3], delta[3], deltb[3]; // force, torque increment;;
double delr[3], ebond, fbond;
double rsq, Deltasq, rlogarg;
double r, rr0, rr0sq;
int a,b,in,type;
double delf[3],delta[3],deltb[3]; // force, torque increment;;
double delr[3],ebond,fbond;
double rsq,Deltasq,rlogarg;
double r,rr0,rr0sq;
// vectors COM-backbone site in lab frame
double ra_cs[3], rb_cs[3];
double ra_cs[3],rb_cs[3];
// Cartesian unit vectors in lab frame
double ax[3],ay[3],az[3];
double bx[3],by[3],bz[3];
@ -188,13 +187,13 @@ void BondOxdnaFene::compute(int eflag, int vflag)
b = bondlist[in][0];
type = bondlist[in][2];
ax[0] = nx_xtrct[a][0];
ax[1] = nx_xtrct[a][1];
ax[2] = nx_xtrct[a][2];
bx[0] = nx_xtrct[b][0];
bx[1] = nx_xtrct[b][1];
bx[2] = nx_xtrct[b][2];
// (a/b)y/z not needed here as oxDNA(1) co-linear
ax[0] = nx_xtrct[a][0];
ax[1] = nx_xtrct[a][1];
ax[2] = nx_xtrct[a][2];
bx[0] = nx_xtrct[b][0];
bx[1] = nx_xtrct[b][1];
bx[2] = nx_xtrct[b][2];
// (a/b)y/z not needed here as oxDNA(1) co-linear
// vector COM-backbone site a and b
compute_interaction_sites(ax, ay, az, ra_cs);
@ -266,7 +265,7 @@ void BondOxdnaFene::compute(int eflag, int vflag)
if (evflag)
ev_tally_xyz(a, b, nlocal, newton_bond, ebond, delf[0], delf[1], delf[2], x[a][0] - x[b][0],
x[a][1] - x[b][1], x[a][2] - x[b][2]);
}
}
}
/* ---------------------------------------------------------------------- */

2
src/CG-DNA/pair_oxdna_coaxstk.cpp
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@ -405,7 +405,6 @@ void PairOxdnaCoaxstk::compute(int eflag, int vflag)
gamma = d_cs - d_cst;
gammacub = gamma * gamma * gamma;
rinv_ss_cub = rinv_ss * rinv_ss * rinv_ss;
aybx = MathExtra::dot3(ay,bx);
azbx = MathExtra::dot3(az,bx);
rax = MathExtra::dot3(delr_st_norm,ax);
@ -545,7 +544,6 @@ void PairOxdnaCoaxstk::compute(int eflag, int vflag)
gamma = d_cs - d_cst;
gammacub = gamma * gamma * gamma;
rinv_ss_cub = rinv_ss * rinv_ss * rinv_ss;
aybx = MathExtra::dot3(ay,bx);
azbx = MathExtra::dot3(az,bx);
rax = MathExtra::dot3(delr_st_norm,ax);

3
src/CG-DNA/pair_oxdna_excv.cpp
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@ -115,9 +115,6 @@ void PairOxdnaExcv::compute_interaction_sites(double e1[3], double /*e2*/[3],
void PairOxdnaExcv::compute(int eflag, int vflag)
{
//printf("\n ExcVol HERE, proc = %d \n", comm->me);
double delf[3],delta[3],deltb[3]; // force, torque increment;
double evdwl,fpair,factor_lj;
double rtmp_s[3],rtmp_b[3];

2
src/CG-DNA/pair_oxdna_hbond.cpp
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@ -218,7 +218,7 @@ void PairOxdnaHbond::compute(int eflag, int vflag)
rb_chb[0] = d_chb*bx[0];
rb_chb[1] = d_chb*bx[1];
rb_chb[2] = d_chb*bx[2];
// vector h-bonding site b to a
delr_hb[0] = x[a][0] + ra_chb[0] - x[b][0] - rb_chb[0];
delr_hb[1] = x[a][1] + ra_chb[1] - x[b][1] - rb_chb[1];