Closed foxtran closed 2 months ago
There is a three-arg variant with vector at second argument: https://github.com/Quantum-Dynamics-Hub/libra-code/blob/14a99c738ef09d9a58ccdc83aeab611e72bbc2e1/src/dyn/dyn_hop_proposal.cpp#L1361-L1402
It is also defined in header: https://github.com/Quantum-Dynamics-Hub/libra-code/blob/14a99c738ef09d9a58ccdc83aeab611e72bbc2e1/src/dyn/dyn_hop_proposal.h#L82
So, it must work :)
In one of variants of hop function,
initstate
variable is not defined. After some looking, I've noticed thathop(int initstate, std::vector<double> &, double)
is exactly the samehop(std::vector<double> &, double)
. In several places, where first variant of routine is called, initstate is 0, so I decided to callhop(int initstate, std::vector<double> &, double)
fromhop(std::vector<double> &, double)
withinitstate = 0
. So, it should act as it was before.