File | Last Change |
---|---|
../ | |
zcons/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
water/ | 3125 (17 years ago) by gezelter: Adding a starter file for the secondary prism {1,1,-2,0} face. |
thermoIntegration/ | 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 |
metals/ | 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 |
gbljtest/ | 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 |
cutoff/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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/ | 3130 (17 years ago) by chuckv: Added md file for half of a icosahedron. |
argon/ | 3131 (17 years ago) by chrisfen: fixed a bug where the pressure tensor wouldn't update for atoms in the switching region when # of atoms in a group = 1 |
alkane/ | 2990 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |