File
|
Last Change |
|---|---|
 ../
|
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alkane/
|
1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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argon/
|
1131 (18 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 |
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bond-order/
|
1130 (18 years ago) by chuckv: Added md file for half of a icosahedron. |
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builders/
|
1083 (18 years ago) by gezelter: more openbabel updates, also changing velocitizer to thermalizer to avoid a filename collision on case-insensitve file systems |
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cutoff/
|
1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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dipole/
|
1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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gbljtest/
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1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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lipid/
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1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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metals/
|
1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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minimizer/
|
1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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thermoIntegration/
|
1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |
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water/
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1125 (18 years ago) by gezelter: Adding a starter file for the secondary prism {1,1,-2,0} face. |
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zcons/
|
1028 (18 years ago) by chrisfen: converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration |