File | Last Change |
---|---|
../ | |
cutoff/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
lipid/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
alkane/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
thermoIntegration/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
dipole/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
metals/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
zcons/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
gbljtest/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
minimizer/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
argon/ | 3046 (17 years ago) by gezelter: fixed a few bugs |
builders/ | 3059 (17 years ago) by gezelter: more openbabel updates, also changing velocitizer to thermalizer to avoid a filename collision on case-insensitve file systems |
bond-order/ | 3089 (17 years ago) by gezelter: new ideal structures |
water/ | 3125 (17 years ago) by gezelter: Adding a starter file for the secondary prism {1,1,-2,0} face. |