Fixing an issue in which the arrays names

[JPchico]

Fixing an issue in which the arrays names might not be compatible with what AiiDA enforces. For that the [ and ] that are usually given by lammps to arrays components are replaces by __. Fixes #42.

[JPchico]

I realized that his had somehow gotten pass me. I wonder how it was working before since it seems to be that the name enforcement is quite old.

I notice that the docs are being built always, is that intended @chrisjsewell ?

[codecov]

Codecov Report

Merging #43 (c612773) into develop (ee2a009) will increase coverage by 0.01%.
The diff coverage is 83.33%.

@@             Coverage Diff             @@
##           develop      #43      +/-   ##
===========================================
+ Coverage    81.86%   81.88%   +0.01%     
===========================================
  Files           30       30              
  Lines         2333     2335       +2     
===========================================
+ Hits          1910     1912       +2     
  Misses         423      423              

Flag	Coverage Δ
pytests	81.88% <83.33%> (+0.01%)	⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files	Coverage Δ
aiida_lammps/calculations/lammps/base.py	0.00% <0.00%> (ø)
aiida_lammps/common/generate_structure.py	98.07% <ø> (ø)
aiida_lammps/common/input_generator.py	77.50% <100.00%> (+0.07%)	⬆️
aiida_lammps/common/parse_trajectory.py	89.61% <100.00%> (+0.13%)	⬆️
aiida_lammps/common/raw_parsers.py	81.60% <100.00%> (ø)

---

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update ee2a009...c612773. Read the comment docs.

[chrisjsewell]

Heya, If you update your branch, #45 should fix the docs

[JPchico]

Great! It should be fixed now (after some struggling with the reference names). I also changed it so that the trajectories and other outputs follow the same conventions and using the regex as we discussed.

[chrisjsewell]

Cheers!