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.
New OOPSE Tree
This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.