error out when a bond/angle/dihedral/improper substyle is not used
this implements the same behavior as for pair style hybrid
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@ -306,6 +306,16 @@ void AngleHybrid::coeff(int narg, char **arg)
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void AngleHybrid::init_style()
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void AngleHybrid::init_style()
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{
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{
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// error if sub-style is not used
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int used;
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for (int istyle = 0; istyle < nstyles; ++istyle) {
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used = 0;
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for (int itype = 1; itype <= atom->nangletypes; ++itype)
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if (map[itype] == istyle) used = 1;
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if (used == 0) error->all(FLERR, "Angle hybrid sub-style {} is not used", keywords[istyle]);
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}
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for (int m = 0; m < nstyles; m++)
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for (int m = 0; m < nstyles; m++)
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if (styles[m]) styles[m]->init_style();
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if (styles[m]) styles[m]->init_style();
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}
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}
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@ -334,6 +334,16 @@ void BondHybrid::coeff(int narg, char **arg)
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void BondHybrid::init_style()
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void BondHybrid::init_style()
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{
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{
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// error if sub-style is not used
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int used;
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for (int istyle = 0; istyle < nstyles; ++istyle) {
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used = 0;
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for (int itype = 1; itype <= atom->nbondtypes; ++itype)
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if (map[itype] == istyle) used = 1;
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if (used == 0) error->all(FLERR, "Bond hybrid sub-style {} is not used", keywords[istyle]);
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}
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for (int m = 0; m < nstyles; m++)
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for (int m = 0; m < nstyles; m++)
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if (styles[m]) styles[m]->init_style();
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if (styles[m]) styles[m]->init_style();
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@ -313,6 +313,16 @@ void DihedralHybrid::coeff(int narg, char **arg)
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void DihedralHybrid::init_style()
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void DihedralHybrid::init_style()
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{
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{
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// error if sub-style is not used
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int used;
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for (int istyle = 0; istyle < nstyles; ++istyle) {
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used = 0;
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for (int itype = 1; itype <= atom->ndihedraltypes; ++itype)
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if (map[itype] == istyle) used = 1;
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if (used == 0) error->all(FLERR, "Dihedral hybrid sub-style {} is not used", keywords[istyle]);
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}
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for (int m = 0; m < nstyles; m++)
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for (int m = 0; m < nstyles; m++)
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if (styles[m]) styles[m]->init_style();
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if (styles[m]) styles[m]->init_style();
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}
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}
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@ -305,6 +305,16 @@ void ImproperHybrid::coeff(int narg, char **arg)
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void ImproperHybrid::init_style()
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void ImproperHybrid::init_style()
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{
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{
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// error if sub-style is not used
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int used;
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for (int istyle = 0; istyle < nstyles; ++istyle) {
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used = 0;
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for (int itype = 1; itype <= atom->nimpropertypes; ++itype)
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if (map[itype] == istyle) used = 1;
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if (used == 0) error->all(FLERR, "Improper hybrid sub-style {} is not used", keywords[istyle]);
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}
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for (int m = 0; m < nstyles; m++)
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for (int m = 0; m < nstyles; m++)
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if (styles[m]) styles[m]->init_style();
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if (styles[m]) styles[m]->init_style();
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}
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}
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