source:
tests/regression/Parser/Psi3/post/test.psi
| Last change on this file was 752bb4, checked in by , 13 years ago | |
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| File size: 223 bytes | |
| Rev | Line | |
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| [752bb4] | 1 | % Created by MoleCuilder |
| 2 | psi: ( | |
| 3 | label = "unknown job" | |
| 4 | jobtype = sp | |
| 5 | wfn = scf | |
| 6 | maxiter = 80 | |
| 7 | reference = rhf | |
| 8 | basis = "cc-pVTZ" | |
| 9 | freeze_core = yes | |
| 10 | units = angstrom | |
| 11 | geometry = ( | |
| 12 | ( H 0 0 0 ) | |
| 13 | ) | |
| 14 | origin = (0.0 0.0 0.0) | |
| 15 | ) |
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