56 |
|
#include "io/BondTypesSectionParser.hpp" |
57 |
|
#include "io/BendTypesSectionParser.hpp" |
58 |
|
#include "io/TorsionTypesSectionParser.hpp" |
59 |
+ |
#include "io/OptionSectionParser.hpp" |
60 |
|
#include "UseTheForce/ForceFieldCreator.hpp" |
61 |
|
|
62 |
|
namespace oopse { |
78 |
|
//parsers. Make sure they are added after DirectionalAtomTypesSectionParser |
79 |
|
//and AtomTypesSectionParser. The order of BondTypesSectionParser, |
80 |
|
//BendTypesSectionParser and TorsionTypesSectionParser are not important. |
81 |
+ |
spMan_.push_back(new OptionSectionParser(forceFieldOptions_)); |
82 |
|
spMan_.push_back(new DirectionalAtomTypesSectionParser()); |
83 |
|
spMan_.push_back(new AtomTypesSectionParser()); |
84 |
|
spMan_.push_back(new LennardJonesAtomTypesSectionParser()); |
113 |
|
} |
114 |
|
|
115 |
|
int isError = 0; |
114 |
– |
completeGayBerneFF(&isError); |
116 |
|
|
117 |
|
delete ffStream; |
118 |
|
|