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transformationcoordinate.h File Reference
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Description

Declares function for compute transformation coordinate values and forces.

Author
Oliver Fleetwood olive.nosp@m.r.fl.nosp@m.eetwo.nosp@m.od@g.nosp@m.mail..nosp@m.com
Paul Bauer paul..nosp@m.baue.nosp@m.r.q@g.nosp@m.mail.nosp@m..com
Joe Jordan ejjor.nosp@m.dan@.nosp@m.kth.s.nosp@m.e
Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes

class  gmx::ArrayRef< typename >
 STL-like interface to a C array of T (or part of a std container of T). More...
 

Functions

double gmx::getTransformationPullCoordinateValue (pull_coord_work_t *coord, ArrayRef< const pull_coord_work_t > variableCoords)
 Calculates pull->coord[coord_ind].spatialData.value for a transformation pull coordinate. More...
 
void gmx::distributeTransformationPullCoordForce (pull_coord_work_t *pcrd, gmx::ArrayRef< pull_coord_work_t > variableCoords)
 Distributes the force on a transformation pull coordinates to the involved coordinates of lower rank. More...