Application | Who/How manages | Scheraga | Hoffmann | Lancaster/Crane | Collum | Widom | Loring | Abruna | ChemIT | |
|---|---|---|---|---|---|---|---|---|---|---|
Gaussian | ChemIT |
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| g09-A.02 |
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| g09-C.01 | |
gv | ChemIT |
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| gv-508 |
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| gv-508 | |
orca | ChemIT |
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| orca-3.0.1 |
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| orca_2_9_1 | |
gromacs | ChemIT |
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| gromacs-4.6.5 | |
Intel Compiler | ChemIT |
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| intel-14 | |
Mathematica | ChemIT |
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| 8.0 |
| 8.0 | |
mpich | ChemIT |
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| mpich-1.2.7.p1 | mpich-1.2.7.p1 |
| mpich-1.2.7p1_intel-10.1 |
| mpich-1.2.7.p1 | mpich-1.2.7.p1 |
openmpi | ChemIT |
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| openmpi-1.6.5 |
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| openmpi-1.6.5_intel_14 | |
sbgrid | ChemIT |
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| yes |
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WebMO | ChemIT |
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| 10.1.002e |
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Quantum Espresso | Group |
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| espresso-5.0.1 |
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