grompp fails to warn about .mdp values with the wrong type
init_lambda_values = 0.35
is silently interpreted as 0.
Make sc-power an integer like it needs to be
This means it can pass the new check.
Fix grompp not warning when .mdp values have wrong types
With old code, e.g. init_lambda_state = 0.35 was silently
interpreted as 0.
Added some comments and TODOs.
Added unit tests for some simple parts of the the functionality that
needed to be fixed. Extended the interface of warninp_t to permit
Clarify use of tau-p and pcoupltype
grompp used to permit "tau-p = 5 5" which is misleading. The recent
fix for #1893 leads to the user receiving a grompp warning, so this
improves the docs to make clear that pressure coupling is not
implemented like temperature coupling (where different time constants
might be used).