Module variables

MAX_CONSTRAINT_SUBS -- integer, parameter

This must be consistent with Constraint_Pointers.c

REGISTERED_CONSTRAINTS -- integer

Stores the number of registered constraint functions

RATTLE_MAX_ITERATIONS -- integer, parameter

Max iterations before failure (same as AMBER)

CONSTRAINT_TOLERANCE -- real(dp), parameter

Default tolerance of constraints

CONSTRAINT_WARNING_TOLERANCE -- real(dp), parameter

Warn if a constraint is added which is not obeyed to within this tolerance

Constraint type