VMD visualization fails

[cisert]

Following this page in the manual, I'm trying to write a VMD session file using the CPREPORT keyword (see input.cri.txt; all files have .txt suffix so Github lets me upload them). This is based on a DFTB+ calculation.

I get the error message (see also complete output)

%% cpreport water.vmd graph

!error!  water.vmd
ERROR(struct_write): unrecognized file format

If I run the same script but with cpreport water.cml graph, the program completes successfully. I believe I'm using the core density augmentation correctly (zpsp c 2 in input.cri.txt for 6 non-core electrons in oxygen), though I'm not 100% sure and perhaps this contributes to the issue?

Any help on how to successfully write a VMD session file would be greatly appreciated!

Thanks and best,
Clemens

Additional files for reproducing the calculation:
detailed.xml.txt (output from DFTB+ calculation)
geom.out.gen.txt (molecule geometry)

[aoterodelaroza]

Hi Clemens: sorry for the wait. The vmd output of CPREPORT is working for me with a very similar input. Are you sure you are using the latest version from the master branch of the repo? This is a relatively new feature and the packaged versions likely don't have it (and the stable version certainly doesn't have it).

[cisert]

Thanks for the answer! I was using the stable version, so that clears it up.