Initial commit of mpi routines for force decomposition.
First commit of mpi force code.
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Added make include.
fixed allot of warnings, and adde the molecule
starting work on the molecule class starting to add in the molecule class adding in the molecule class
fixed a bug in getA( double the_A[3][3] );
added the getA( double the_A[3][3] ) routine to the Directional Atom Class, to facilitate easier RotMat aquisition
fixed a precision error in the calculation of the temperature. Also fixed the order that dump file are written.
This commit was generated by cvs2svn to compensate for changes in r10, which included commits to RCS files with non-trunk default branches.