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LatticeMinimizer.h File Reference

Classes

struct  LatticeGradient
 Vector-space entry for lattice minimization (stress and forces): More...
 
class  LatticeMinimizer
 Lattice minimizer. More...
 

Functions

void axpy (double alpha, const LatticeGradient &x, LatticeGradient &y)
 accumulate operation: Y += alpha*X
 
double dot (const LatticeGradient &x, const LatticeGradient &y)
 inner product
 
LatticeGradient clone (const LatticeGradient &x)
 create a copy
 
void randomize (LatticeGradient &x)
 initialize with random numbers
 

Detailed Description

Class LatticeMinimizer and related definitions