Brain HPC Mopac Pm6 Single Point
brain_hpc_mopac_pm6_single_point
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MOPAC Pm6 single point.
Preview. This tool is available but has not yet completed Paramus output verification. Treat results as provisional.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
geometry |
string | yes | Parameter geometry |
file_path |
string | yes | Parameter file_path |
charge |
number | no | Parameter charge |
multiplicity |
number | no | Parameter multiplicity |
Examples
MOPAC Pm6 single point
MOPAC Pm6 single point.
Prompt: “Run pm6 single point with mopac”
brain_hpc_mopac_pm6_single_point(input=...)Usage notes
- MOPAC HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
chargefile_pathgeometrymopacmultiplicitypm6pm6_single_pointpointsingle