Allows writing of Turbomole format with angstrom.

[MtoLStoN]

At the moment, mctc-lib allows reading of coord files in angstrom format ($coord angs), but can not write these files. With this PR, mctc-lib will write $coord angs files if specified in the input.

[codecov]

Codecov Report

Attention: 21 lines in your changes are missing coverage. Please review.

Comparison is base (305eb7a) 69.81% compared to head (c8fafbb) 69.79%.

Files	Patch %	Lines
test/test_write_turbomole.f90	56.09%	0 Missing and 18 partials ⚠️
src/mctc/io/write/turbomole.f90	78.57%	2 Missing and 1 partial ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main      #62      +/-   ##
==========================================
- Coverage   69.81%   69.79%   -0.03%     
==========================================
  Files          64       64              
  Lines        8568     8618      +50     
  Branches     2552     2579      +27     
==========================================
+ Hits         5982     6015      +33     
+ Misses        784      782       -2     
- Partials     1802     1821      +19     

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[awvwgk]

Best would be to store the conversation factor in a separate variable and keep most of the code for writing the data groups the same. This avoids creating unnecessary code duplication.

[MtoLStoN]

You are right, I thought about that too. However, there are a few additional things that differ between writing a normal coord and a coord file in angstrom form, other than just the conversion ($coord angs, and $lattice angs). This could be of course easily done with if clauses, but this would make the code a little bit harder to read. I therefore opted to do it this way in favor of code clarity.

But we can also do it with fewer lines, if you prefer that.

[awvwgk]

Looks good to me now.