Many changes to get group-based cutoffs to work
More work for adding charges
performance fixes in the dipole dipole and reaction field code
Attempting to increase performance by reducing spurious function calls
fixed a stdlib.h include error in bass.l fixed a little bug in the first time step, regarding the setting of ecr and est in fortran
More fixes for stress tensor parallel bug.
fix bug in calc_dipole_dipole.F90 and calc_stikcy_pair.F90 molMembershipList use global index instead of local index
Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
more fixes for box changes
fixed a long lived bug in do_forces. Rrf was not being used in the neighborlist correctly. rcut was conssistently being set lowere than Rrf causing the dipole cutoff region to be to small. Also led to the removal of the taper region to buffer the dipole cutoff.
Fixing pressure tensor
fixed a bug in symplectic, where presure was only being calculated the first time through.
fixes for NPT and NVT
It works (kinda)...
bug fixes
Breaking c and fortran, c gets smarter, fortran gets dumber...
fixed a memory read bug in neighborlist
dipoles mostly work, but there is a memory leak somewhere.
electrostatic changes for dipole / RF separation
various write statements for debugging
This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
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