File
|
Last Change |
|---|---|
 ../
|
|
utilities/
|
1123 (18 years ago) by chrisfen: forgot a tolerance for simple cubic lattice magic number determination |
|
thermalizer/
|
1083 (19 years ago) by gezelter: more openbabel updates, also changing velocitizer to thermalizer to avoid a filename collision on case-insensitve file systems |
|
staticProps/
|
1181 (18 years ago) by chuckv: Testing files for NPT Langevin dynamics convex hull calculation. |
|
simpleBuilder/
|
1067 (19 years ago) by gezelter: fixing missing lattice arguments, adding a builder sample |
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randomBuilder/
|
1077 (19 years ago) by gezelter: bug fixes for vacancies |
|
oopse/
|
993 (19 years ago) by chrisfen: MPI thermodynamic integration works now. |
|
nanoparticleBuilder/
|
1077 (19 years ago) by gezelter: bug fixes for vacancies |
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hydrodynamics/
|
1177 (18 years ago) by xsun: Bug fixes for non-declared objects |
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dynamicProps/
|
1114 (18 years ago) by chuckv: Added thetacorr functions to dynamic props. |
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dump2Xyz/
|
1117 (18 years ago) by chuckv: Added printPosOnly to Dump2XYZ as a userbase(BETH) request. |
|
atom2md/
|
1021 (19 years ago) by gezelter: starting change of file formats |