Prepare default .mdp values.
Insert suitable .mdp defaults, so that mdpFileValueDatabase_g
does not need to specify repetitive values. This works because std::map.insert() does not over-write elements that already exist.
- Todo:
- ideally some of these default values should be the same as grompp uses, and sourced from the same place, but that code is a bit of a jungle until we transition to using IMdpOptions more.
- Exceptions
-
std::bad_alloc | if out of memory std::out_of_range if simulationName is not in the database |
Note: Any mdp options that are not added here cannot be used