Subroutine quantum_to_constrained

Convert a quantum atom's group to a constrained group. The group is searched for two body constraints, which are assumed to be bond length or time dependent bond length constraints. The required final length is extracted, and a new time dependent bond length constraint is imposed, taking the current length and relative velocity along the bond to the required values, in the time given by smoothing_time.

Any other constraints are left untouched.

this -- type(DynamicalSystem), intent(inout)

i -- integer, intent(in)

smoothing_time -- real(dp), intent(in)

thermalize_group subroutine