ParM
parm
A molecular dynamics library
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#include <constraints.hpp>
Public Member Functions | |
SmoothLocs (sptr< AtomGroup > atoms, Box &box, uint smoothn, uint skipn=1, bool usecom=false) | |
void | reset () |
void | update (Box &box) |
This function is called once per timestep, when particles are in their set position. More... | |
vector< Eigen::Matrix< flt, Eigen::Dynamic, NDIM > > | smooth_locs () |
Public Member Functions inherited from StateTracker | |
virtual | ~StateTracker () |
Public Attributes | |
sptr< AtomGroup > | atoms |
uint | smoothn |
uint | skipn |
Eigen::Matrix< flt, Eigen::Dynamic, NDIM > | curlocs |
uint | numincur |
vector< Eigen::Matrix< flt, Eigen::Dynamic, NDIM > > | locs |
unsigned long | curt |
bool | usecom |
SmoothLocs::SmoothLocs | ( | sptr< AtomGroup > | atoms, |
Box & | box, | ||
uint | smoothn, | ||
uint | skipn = 1 , |
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bool | usecom = false |
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) |
void SmoothLocs::reset | ( | ) |
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inline |
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virtual |
This function is called once per timestep, when particles are in their set position.
Implements StateTracker.
Eigen::Matrix<flt, Eigen::Dynamic, NDIM> SmoothLocs::curlocs |
unsigned long SmoothLocs::curt |
vector<Eigen::Matrix<flt, Eigen::Dynamic, NDIM> > SmoothLocs::locs |
uint SmoothLocs::numincur |
uint SmoothLocs::skipn |
uint SmoothLocs::smoothn |
bool SmoothLocs::usecom |