Dominik Kriegner

From your reply I understand you want to calculate long symmetric radial scans. In this case the inplane orientation does not matter. Also I guess in a first place you...

I feel there is a misunderstanding about ApplyStrain. This function is only used to transform a unit cell. Therefore if (or if not) one considers there the elastic response of...

From the error you list I assume you are using an `SGLattice` object where a `Crystal` object should be used. Please try it with a `Crystal` object. Provide a minimal...

In the Gentoo tree it is only used by one project (referencer https://launchpad.net/referencer). However also this project released already a version without the gtkmm-utils dependency.

> > Is Gentoo carrying any patches that need to be merged? In 2015 I opened a pull request with a gentoo patch: #171 There was no feedback whatsoever since...

I think that the changes in the systemd service file should be merged asap. The presence of the brackets cause the daemon to fail to set the time. The error...

The problem is you are not telling the powdermodel initially that you need your simulation only up to 13.5 degree. It by default prepares for calculations up to 180 deg...

sorry. i missed that. Can you try to reduce the number of custom settings for the fundamental parameter model (of course keep your wavelength) and check if this has any...

ok, i look into it. the PowderDiffraction code allocates a lot of buffers and does a lot of caching which in your case seems to be too much. the buffering...

if the buffers generation is indeed the problem its rooted very deep in the code. The original author of this code section should likely be consulted. It certainly all scales...