Add mc moves

[mpougin]

For charged molecules Raspa outputs the warning: WARNING: REINSERTION MOVE USED ON CHARGED IONS (IF POSSIBLE, CHANGE TO RANDOM TRANSLATION MOVE TO AVOID NUMERICAL PROBLEMS)

Reinsertion probability 1.0 is still the default in the simannealing wc but I added the possibility to change this value and specify a random translation probability

[mpougin]

@kjappelbaum, you have an idea why the coverage report fails?

[kjappelbaum]

😮 that's a large PR 😆

[kjappelbaum]

probably it is a token issue for the coverage upload, I'll give it a look

[mpougin]

😮 that's a large PR 😆

It's mainly the mock-code files that changed. My modification slightly modifies the input of the test-calculation (it now adds by default randominsertionprobability 0.0, so I had to generate new mock code for the simannealing test. The code/example modifications are in the first commit

[mpougin]

probably it is a token issue for the coverage upload, I'll give it a look

Thank you :)

[mpougin]

probably it is a token issue for the coverage upload, I'll give it a look

maybe it's related to this? https://github.com/codecov/codecov-action/issues/557