Brain HPC Mopac Irc Path
brain_hpc_mopac_irc_path
Open in the interactive browser →
MOPAC Irc path.
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 |
direction |
string | no | Parameter direction |
step_size |
number | no | Parameter step_size |
max_points |
number | no | Parameter max_points |
Examples
MOPAC Irc path
MOPAC Irc path.
Prompt: “Run irc path with mopac”
brain_hpc_mopac_irc_path(input=...)Usage notes
- MOPAC HPC module
- Layer 3 Docker container architecture
- GPU acceleration available where supported
chargedirectionfile_pathgeometryircirc_pathmax_pointsmopacmultiplicitypathstep_size