# | Line 57 | Line 57 | |
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57 | #include "primitives/Bend.hpp" | |
58 | #include "primitives/Torsion.hpp" | |
59 | #include "primitives/Inversion.hpp" | |
60 | + | |
61 | namespace OpenMD { | |
62 | + | |
63 | + | ForceManager::ForceManager(SimInfo * info) : info_(info), |
64 | + | NBforcesInitialized_(false) { |
65 | + | lj_ = LJ::Instance(); |
66 | + | lj_->setForceField(info_->getForceField()); |
67 | ||
68 | + | eam_ = EAM::Instance(); |
69 | + | eam_->setForceField(info_->getForceField()); |
70 | + | } |
71 | + | |
72 | void ForceManager::calcForces() { | |
73 | ||
74 | if (!info_->isFortranInitialized()) { |
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