mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <aatopology.h>
Public Member Functions | |
MeasureAngleAxisCluster (pele::RBTopology *topology) | |
void | align (pele::Array< double > const x1, pele::Array< double > x2) |
Public Attributes | |
pele::RBTopology * | m_topology |
Definition at line 180 of file aatopology.h.
pele::MeasureAngleAxisCluster::MeasureAngleAxisCluster | ( | pele::RBTopology * | topology | ) | [inline] |
Definition at line 183 of file aatopology.h.
void pele::MeasureAngleAxisCluster::align | ( | pele::Array< double > const | x1, |
pele::Array< double > | x2 | ||
) |
align the rotations so that the atomistic coordinates will be in best alignment
Definition at line 129 of file aatopology.cpp.
Definition at line 182 of file aatopology.h.