Updating tests

[ylvao]

Updating the tests in mrchem, this includes:

• Increase tolerance of tests
• Adding more tests (hf, lda, pbe/b3lyp, a standard one) at high precision up to medium size molecules)
• Reconstruct into three sets of tests: 1) run every time something is committed, 2) run once for a pull request etc, 3) Extensive set that can be ran sometimes (one folder for each)
• Add xc library name in label + input file
• Increase tolerance and update reference for libxc tests
• Update documentation
• Update the config.yml for CircleCI to allow for staging of pipelines and the test splitting
• Reformatting input files that use json format
• All tests should have one of the three labels: short (default), medium (can be ran locally), long (should not be in ctest))
• Folder should have the same name as the test in lower case
• Labels should at least include: mrchem, method, molecule, short/medium/long, tests should not have its name as a label
• imom tests does not have to run every time
• dft tests using xcfun should be similar to libxc (restricted/unrestricted, hyb-gga/lda)
• ...

Feel free to add more/edit

was a test for piplines

[ylvao]

Tests that fail with increased tolerance (1e-10):

• h2_scf_hf
• h2o_hirshfeld_charges_lda
• h2_static_polarizability_lda
• h2_polarizability_solvent_effect
• li_static_polarizability_lda