| # | Line 57 | Line 57 | |
|---|---|---|
| 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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