16 #ifndef QMCPLUSPLUS_VMC_PARTICLEBYPARTICLE_UPDATE_H 17 #define QMCPLUSPLUS_VMC_PARTICLEBYPARTICLE_UPDATE_H Base class for update methods for each step.
A set of walkers that are to be advanced by Metropolis Monte Carlo.
helper functions for EinsplineSetBuilder
Collection of Local Energy Operators.
Timer accumulates time and call counts.
NewTimer & movepbyp_timer_
VMCUpdatePbyP(MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, RandomBase< FullPrecRealType > &rg)
Constructor.
~VMCUpdatePbyP() override
Implements the VMC algorithm using particle-by-particle move.
NewTimer & hamiltonian_timer_
void advanceWalker(Walker_t &thisWalker, bool recompute) override
move a walker
NewTimer & collectables_timer_
Class to represent a many-body trial wave function.
Declare QMCUpdateBase class.
A container class to represent a walker.