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