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@ -30,8 +30,7 @@ enum { MOLECULE, CHARGE, RMASS, IVEC, DVEC, IARRAY, DARRAY };
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/* ---------------------------------------------------------------------- */
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FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg),
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nvalue(0), styles(nullptr), index(nullptr), astyle(nullptr)
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Fix(lmp, narg, arg), nvalue(0), styles(nullptr), index(nullptr), astyle(nullptr)
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{
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if (narg < 4) error->all(FLERR, "Illegal fix property/atom command");
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@ -300,12 +299,10 @@ void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf, tagint
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atom->dvector[index[j]][m] = values.next_double();
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} else if (styles[j] == IARRAY) {
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ncol = cols[j];
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for (k = 0; k < ncol; k++)
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atom->iarray[index[j]][m][k] = values.next_int();
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for (k = 0; k < ncol; k++) atom->iarray[index[j]][m][k] = values.next_int();
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} else if (styles[j] == DARRAY) {
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ncol = cols[j];
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for (k = 0; k < ncol; k++)
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atom->darray[index[j]][m][k] = values.next_double();
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for (k = 0; k < ncol; k++) atom->darray[index[j]][m][k] = values.next_double();
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}
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}
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}
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@ -566,12 +563,10 @@ void FixPropertyAtom::copy_arrays(int i, int j, int /*delflag*/)
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atom->dvector[index[nv]][j] = atom->dvector[index[nv]][i];
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else if (styles[nv] == IARRAY) {
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ncol = cols[nv];
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for (k = 0; k < ncol; k++)
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atom->iarray[index[nv]][j][k] = atom->iarray[index[nv]][i][k];
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for (k = 0; k < ncol; k++) atom->iarray[index[nv]][j][k] = atom->iarray[index[nv]][i][k];
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} else if (styles[nv] == DARRAY) {
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ncol = cols[nv];
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for (k = 0; k < ncol; k++)
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atom->darray[index[nv]][j][k] = atom->darray[index[nv]][i][k];
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for (k = 0; k < ncol; k++) atom->darray[index[nv]][j][k] = atom->darray[index[nv]][i][k];
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}
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}
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}
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@ -671,8 +666,7 @@ int FixPropertyAtom::unpack_border(int n, int first, double *buf)
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ncol = cols[nv];
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last = first + n;
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for (i = first; i < last; i++)
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for (k = 0; k < ncol; k++)
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iarray[i][k] = (int) ubuf(buf[m++]).i;
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for (k = 0; k < ncol; k++) iarray[i][k] = (int) ubuf(buf[m++]).i;
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} else if (styles[nv] == DARRAY) {
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double **darray = atom->darray[index[nv]];
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ncol = cols[nv];
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@ -739,8 +733,7 @@ int FixPropertyAtom::unpack_exchange(int nlocal, double *buf)
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atom->dvector[index[nv]][nlocal] = buf[m++];
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else if (styles[nv] == IARRAY) {
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ncol = cols[nv];
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for (k = 0; k < ncol; k++)
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atom->iarray[index[nv]][nlocal][k] = (int) ubuf(buf[m++]).i;
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for (k = 0; k < ncol; k++) atom->iarray[index[nv]][nlocal][k] = (int) ubuf(buf[m++]).i;
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} else if (styles[nv] == DARRAY) {
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ncol = cols[nv];
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for (k = 0; k < ncol; k++) atom->darray[index[nv]][nlocal][k] = buf[m++];
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@ -776,12 +769,10 @@ int FixPropertyAtom::pack_restart(int i, double *buf)
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buf[m++] = atom->dvector[index[nv]][i];
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else if (styles[nv] == IARRAY) {
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ncol = cols[nv];
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for (k = 0; k < ncol; k++)
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buf[m++] = ubuf(atom->iarray[index[nv]][i][k]).d;
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for (k = 0; k < ncol; k++) buf[m++] = ubuf(atom->iarray[index[nv]][i][k]).d;
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} else if (styles[nv] == DARRAY) {
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ncol = cols[nv];
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for (k = 0; k < ncol; k++)
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buf[m++] = atom->darray[index[nv]][i][k];
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for (k = 0; k < ncol; k++) buf[m++] = atom->darray[index[nv]][i][k];
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}
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}
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