removing group-selective cutoff cruft
Less busted than it was on last check-in, but still won't completely build.
The C++ side now compiles. Moving on to doForces
Changes to remove more of the low level stuff from the fortran side.
Many changes, and we're not quite done with this phase yet.
Starting migration of Morse to C++
More fixes for cmake.
Fixed case typos in cmake.
Different version of FindOpenBabel that actually works.
Somewhat working cmake build system now. Does not yet build a parallel target. Builds all non-mpi programs.
Needed by openbabel macro.
Fixing headers. They are now .hpp files.
Removed .h files. They are .hpp files committed yesterday.
Adding exception and reporting mechanism from ProtoMol to OpenMD.
Adding debugging and tracing tools from protomol to openmd.
Adding some error reporting and debuging code to OpenMD. This code is borrowed from ProtoMol.
Migrating Sutton-Chen from Fortran over to C++
Converting Sticky over to C++
removing cruft
Added GB module to the C++ side, got rid of it on the fortran side.
Fixed a bug in EAM. Seems to work now!
fixed phi mixing
no longer segfaults
Added EAM. Still segfaults but compiles.
busticated EAM
fixed some destructor bugs dealing with the TypeContainers
Added CubicSpline class to replace our interpolation F90 module
fixing c/fortran bugs
fixing calls
Added nonbonded directory. Compiles, links, runs, but gives incorrect answer.
builds
attempts at c++->fortran linkage. Still busticated.
added nonbonded directory
well, it compiles, but still segfaults
Adding stuff for cmake
Creating busticated version of OpenMD
Standard project directories initialized by cvs2svn.