whitespace fixes
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@ -188,7 +188,7 @@ int BodyRoundedPolyhedron::unpack_border_body(AtomVecBody::Bonus *bonus, double
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------------------------------------------------------------------------- */
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void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
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int *ifile, double *dfile)
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int *ifile, double *dfile)
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{
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AtomVecBody::Bonus *bonus = &avec->bonus[ibonus];
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@ -217,10 +217,10 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
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nedges = ned; //nsub + nfac - 2;
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nentries = 6 + 3*nsub + 2*nedges + MAX_FACE_SIZE*nfac + 1;
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}
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if (ndouble != nentries)
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error->one(FLERR,"Incorrect # of floating-point values in "
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"Bodies section of data file");
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"Bodies section of data file");
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bonus->ninteger = 3;
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bonus->ivalue = icp->get(bonus->iindex);
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@ -340,7 +340,7 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
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atom->radius[bonus->ilocal] = erad + rrad;
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// polyhedra have Nedges and Nfaces
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} else {
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// edges
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@ -356,7 +356,7 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
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for (i = 0; i < nfac; i++) {
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for (m = 0; m < MAX_FACE_SIZE; m++)
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bonus->dvalue[k+m] = dfile[j+m];
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bonus->dvalue[k+m] = dfile[j+m];
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k += MAX_FACE_SIZE;
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j += MAX_FACE_SIZE;
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}
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@ -439,14 +439,14 @@ int BodyRoundedPolyhedron::pack_data_body(tagint atomID, int ibonus, double *buf
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if (nsub < 3) j += 2;
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else {
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for (i = 0; i < nedge; i++) {
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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}
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for (i = 0; i < nface; i++) {
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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buf[m++] = static_cast<int> (dvalue[j++]);
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}
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}
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@ -454,7 +454,7 @@ int BodyRoundedPolyhedron::pack_data_body(tagint atomID, int ibonus, double *buf
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// j+1 to skip enclosing radius
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buf[m++] = 2.0 * dvalue[j+1];
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} else {
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m = 3 + 3 + 6 + 3*nsub + 1;
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if (nsub > 2) m += 2*nedge + MAX_FACE_SIZE*nface;
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@ -477,7 +477,7 @@ int BodyRoundedPolyhedron::write_data_body(FILE *fp, double *buf)
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m += 3;
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// nvert, nedge, nface
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const int nsub = (int) ubuf(buf[m++]).i;
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const int nedge = (int) ubuf(buf[m++]).i;
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const int nface = (int) ubuf(buf[m++]).i;
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@ -502,12 +502,12 @@ int BodyRoundedPolyhedron::write_data_body(FILE *fp, double *buf)
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fmt::print(fp,"{} {}\n",static_cast<int> (buf[m]),static_cast<int> (buf[m+1]));
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for (int i = 0; i < nface; i++, m+=4)
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fmt::print(fp,"{} {} {} {}\n",
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static_cast<int> (buf[m]),static_cast<int> (buf[m+1]),
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static_cast<int> (buf[m+2]),static_cast<int> (buf[m+3]));
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static_cast<int> (buf[m]),static_cast<int> (buf[m+1]),
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static_cast<int> (buf[m+2]),static_cast<int> (buf[m+3]));
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}
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// rounded diameter
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double diameter = buf[m++];
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fmt::print(fp,"{}\n",diameter);
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