mdcore Code

tightened-up the interaction routines.

some modifications to the potentials and their evaluation.

make energy accumulation staggered to avoid drowning the result in rounding error.

made potentials linear where r < a.

fixed some bugs in the make process regarding the cell/be version.

minor fixes.

hacked src/Makefile.am to call Makefile.cell to build the cell/be version of the library.

fixed-up some issues with the makefiles.

serious re-working of configure process, generation of two libraries -- one for single and one for double precision, fixed-up some of the Cell/BE stuff.

made the distinction between cell/tuples/pairs clearer.