Should properties.py contains the values used as convergence criteria during the geop?

[grhawk]

Is there any way to print out the values used to define if a geometry optimization is converged or not?

[ceriottm]

Again, in general I think we should make better use of the output. I
dislike the approach of many ab initio codes of putting everything there,
but it's true that there are some diagnostics for which a log file is the
best destination.
I'd say that the "default output" for a GEOP run may be a textual
"convergence report" together with energy, forces and positions at the last
step.
But again, this should be looked after at a later stage, after we have
cleaned up the mess of feature branches that is around. I want ideally to
merge at least dynmatrix, suzukichin and fastxyz -- the latter in
particular since it is a prerequisite for the ppi estimator branch that I'm
quite keen on having delivered.

On 29 August 2016 at 15:01, Riccardo Petraglia [email protected]
wrote:

Is there any way to print out the values used to define if a geometry
optimization is converged or not?

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[grhawk]

Moved to the general output issues #151