65 |
|
setForceFieldFileName("EAM.frc"); |
66 |
|
|
67 |
|
//the order of adding section parsers are important |
68 |
+ |
//OptionSectionParser must come first to set options for other parsers |
69 |
|
//DirectionalAtomTypesSectionParser should be added before AtomTypesSectionParser Since |
70 |
|
//These two section parsers will actually create "real" AtomTypes (AtomTypesSectionParser will create |
71 |
|
//AtomType and DirectionalAtomTypesSectionParser will creat DirectionalAtomType which is a subclass |
76 |
|
//The order of BondTypesSectionParser, BendTypesSectionParser and TorsionTypesSectionParser are |
77 |
|
//not important. |
78 |
|
spMan_.push_back(new OptionSectionParser(forceFieldOptions_)); |
78 |
– |
spMan_.push_back(new DirectionalAtomTypesSectionParser()); |
79 |
|
spMan_.push_back(new AtomTypesSectionParser()); |
80 |
< |
spMan_.push_back(new EAMAtomTypesSectionParser()); |
80 |
> |
spMan_.push_back(new EAMAtomTypesSectionParser(forceFieldOptions_)); |
81 |
|
|
82 |
|
|
83 |
|
} |