Fixed bugs. Single version now runs w/o segfault. Still a conservation of energy bug. do_Forces.F90: Fixed pot not being passed to do_pair. neighborLists.F90: Fixed bugs in checkNeighborLists atype_module.F90: Fixed bug with allocating atypes on each new_atype call.Now checks to see if atypes is null, then calles initialize(16). vector_class.F90: Fixed some bugs with how MatchList was being allocated.
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added GB
brought force_globals back from the dead to fix circular references
adding more to the interface
bug fixes for new fForceField.h
fortran-side fixes to play nice with C
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fixes for the exclude lists
initialization routines, bug fixes, exclude lists
Fixed some more compile bugs in do_Forces.F90.
forceGlobals is gone (part3)
Stick a fork in it. It's rare.
bye bye atypeGlobals (part2)
Massive rewrite
bunch of fixes
Bug fixes
Bunch o' stuff, particularly the vector_class.F90 module
Massive rewrite underway. This way be dragons.
More changes to code. Hopefully these will commit smoothly.
Removed extra copy of dipole dipole
Added stuff for Dipole/Dipole and ReactionField
More code clean-up.
Dan Goes Crazy
Split force loop into subroutines. Moved wrap out of simulation module.
cleaning up all of the function wrapping
Changed code to use one generic force loop. Only one super atype that has all information is now used.
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