File
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Last Change |
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 ../
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atom2md/
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1210 (17 years ago) by gezelter: Removed older version of openbabel from our code. We now have a configure check to see if openbabel is installed and then we link to the stuff we need. Conversion to OOPSE's md format is handled by only one application (atom2md), so most of the work went on there. ElementsTable still needs some work to function in parallel. |
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dump2Xyz/
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1117 (18 years ago) by chuckv: Added printPosOnly to Dump2XYZ as a userbase(BETH) request. |
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dynamicProps/
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1183 (17 years ago) by xsun: Added: Action Correlation function (for viscosity), Directional RCorr (for non-spherical bodies) Modified: LCorr (for multiple axes) |
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hydrodynamics/
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1210 (17 years ago) by gezelter: Removed older version of openbabel from our code. We now have a configure check to see if openbabel is installed and then we link to the stuff we need. Conversion to OOPSE's md format is handled by only one application (atom2md), so most of the work went on there. ElementsTable still needs some work to function in parallel. |
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nanoparticleBuilder/
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1077 (18 years ago) by gezelter: bug fixes for vacancies |
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oopse/
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993 (19 years ago) by chrisfen: MPI thermodynamic integration works now. |
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randomBuilder/
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1077 (18 years ago) by gezelter: bug fixes for vacancies |
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simpleBuilder/
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1067 (18 years ago) by gezelter: fixing missing lattice arguments, adding a builder sample |
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staticProps/
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1207 (17 years ago) by chuckv: Fixes for building. |
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thermalizer/
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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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utilities/
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1189 (17 years ago) by cpuglis: *** empty log message *** |