Implement LRF #19
Description
Parameters in the input file to control this:
lrf (on/off)
lrf (number)
It seems there is always some kind of cut-off logic going on, in case of LRF this is just a specific kind of calculation.
lrf_taylor does the calculations. It uses phi parameters for each coordinate, therefore if they are 0 then the LRF calculation is not done for that atom. Phi3 parameters apparently go up to 27.
Charge group centers are necessary in initialization. Also you need to do pairs now :(. Going to be a bit complicated to refactor this.
The following lists are created:
nbpplist_lrf
nbpwlist_lrf
nbqplist
nbwwlist_lrf
So apparently qp interactions are never LRF. Actually in case it is outside cutoff it seems no calculation is done at all. But usually you would set it to 99. Same goes for LRF cut-off, this controls when to stop doing even LRF calculations, but the default is 99.
Not relevant to us (PBC): MC_volume, put_back_in_box, new_potential