&thermostat

[JanosJiri]

Renaming &nhcopt to &thermostat and inose to itherm. Backwards compatibility is ensured.

Closes #212

[codecov]

Codecov Report

❌ Patch coverage is 84.61538% with 2 lines in your changes missing coverage. Please review.
✅ Project coverage is 84.06%. Comparing base (85cf84f) to head (1742c98).
⚠️ Report is 1 commits behind head on master.

Files with missing lines	Patch %	Lines
src/init.F90	84.61%	2 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##           master     #213      +/-   ##
==========================================
- Coverage   84.06%   84.06%   -0.01%     
==========================================
  Files          47       47              
  Lines        6602     6614      +12     
  Branches      764      766       +2     
==========================================
+ Hits         5550     5560      +10     
- Misses        853      855       +2     
  Partials      199      199              

Flag	Coverage Δ
unittests	18.36% <0.00%> (-0.04%)	⬇️

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

Files with missing lines	Coverage Δ
src/init.F90	82.62% <84.61%> (+0.01%)	⬆️

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[JanosJiri]

@danielhollas @suchanj I've uploaded my modification to the v1.2-prep a few minutes after Dan merged it in #211, so it actually uploaded a new branch with the same name as the previous one. I added the &thermostat section and itherm keyword instead of inose. I've modified the keywords in a few instances so that they are checked in the tests. Have a look, please.

[JanosJiri]

Btw, default for inose is -1 (as set in the nosehoover.F90), yet the manual said 0. Should we change it to 0?

[danielhollas]

Perfect, this is exactly what I had it mind, thank you!

Can you also please modify all the input files in sample_inputs/? 🙏

[danielhollas]

I've uploaded my modification to the v1.2-prep a few minutes after Dan merged it in #211, so it actually uploaded a new branch with the same name as the previous one.

No worries, and sorry about that. If you wanted to fix it, you can do an interactive rebase and discard the commits that have already been merged, e.g.

git switch master 
git pull origin master
git switch v1.2-prep
git rebase -i master

and in vim delete the commit that you don't want.

[danielhollas]

Perfect, thank you! One more down. 💪