andyras / dynamix Goto Github PK

could also switch between wfn/dm, and different types of dissipation within DM.

could print a warning if g-factors are nonzero in input with no bridge, alert user to g-factors being set to 0

if nproc=0, get number automatically, otherwise use nproc

maybe every 5-10% update the progress.out file

can have logic in time propagation loop

if (ii % (numOutputSteps/10) == 0) {
update file;
}

code in options for An DOS, others? Option to read in from file.

common elements:
img directory
mencoding
parallel call

basically redefine '<<' as '<< std::setw(8) << std::scientific <<'

column number should be ii not idx

double p.lastTime
std::vector p.ydot (N2*2)

It is very awkward right now to add plotting capability--it may be helpful to have a separate script.

What do the plotting scripts need to know about the run? If it is just input parameters, then a big python script could probably do the job, or maybe better a set of bash functions which send commands to gnuplot.

third gamma constant

the fact that an the input is really the number of intervals leads to nonidiomatic for loops and broken arrays

Having loops run from, for example, Ik to Ic requires knowledge that c comes after k. Better to have defined Ik_start and Ik_end variables.

Calls to RHS are in the millions for a 3-4 level system with the laser turned on... and the populations are static in time.

wavenumbers or correct energies

is it possible?

possibly have a parameter for which units in output

ii may not always equal (p->Ik + ii)