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modernize/correct parsing for Bonus and Bodies sections

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This commit is contained in:
Axel Kohlmeyer
2021-12-30 22:58:14 -05:00
parent 8d53cd1e5d
commit e6e9aed385
8 changed files with 58 additions and 62 deletions
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21
src/atom_vec_tri.cpp
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@ -470,22 +470,23 @@ int AtomVecTri::unpack_restart_bonus(int ilocal, double *buf)
unpack one line from Tris section of data file
------------------------------------------------------------------------- */
void AtomVecTri::data_atom_bonus(int m, char **values)
void AtomVecTri::data_atom_bonus(int m, const std::vector<std::string> &values)
{
if (tri[m]) error->one(FLERR,"Assigning tri parameters to non-tri atom");
if (nlocal_bonus == nmax_bonus) grow_bonus();
double c1[3],c2[3],c3[3];
c1[0] = utils::numeric(FLERR,values[0],true,lmp);
c1[1] = utils::numeric(FLERR,values[1],true,lmp);
c1[2] = utils::numeric(FLERR,values[2],true,lmp);
c2[0] = utils::numeric(FLERR,values[3],true,lmp);
c2[1] = utils::numeric(FLERR,values[4],true,lmp);
c2[2] = utils::numeric(FLERR,values[5],true,lmp);
c3[0] = utils::numeric(FLERR,values[6],true,lmp);
c3[1] = utils::numeric(FLERR,values[7],true,lmp);
c3[2] = utils::numeric(FLERR,values[8],true,lmp);
int ivalue = 1;
c1[0] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c1[1] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c1[2] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c2[0] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c2[1] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c2[2] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c3[0] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c3[1] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c3[2] = utils::numeric(FLERR,values[ivalue++],true,lmp);
// check for duplicate points