Brain HPC Mopac Ts Search
brain_hpc_mopac_ts_search
Open in the interactive browser →
MOPAC Ts search.
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 |
gnorm |
number | no | Parameter gnorm |
Examples
MOPAC Ts search
MOPAC Ts search.
Prompt: “Run ts search with mopac”
brain_hpc_mopac_ts_search(input=...)Usage notes
- MOPAC HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
chargefile_pathgeometrygnormmopacmultiplicitysearchts_search