Brain HPC Mopac Pm6 Frequencies
brain_hpc_mopac_pm6_frequencies
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MOPAC Pm6 frequencies.
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 |
temperature |
number | no | Parameter temperature |
Examples
MOPAC Pm6 frequencies
MOPAC Pm6 frequencies.
Prompt: “Run pm6 frequencies with mopac”
brain_hpc_mopac_pm6_frequencies(input=...)Usage notes
- MOPAC HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
chargefile_pathfrequenciesgeometrymopacmultiplicitypm6pm6_frequenciestemperature