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3 changes: 2 additions & 1 deletion agents/matmaster_agent/sub_agents/LAMMPS_agent/callback.py
Original file line number Diff line number Diff line change
Expand Up @@ -69,8 +69,9 @@ async def validate_lammps_file_urls(tool, args, tool_context: ToolContext):

# Define the file path arguments that need to be validated for each tool
file_path_args = {
'orchestrate_input': [('structure_file',)],
'convert_structural_format': [('structure_file',)],
'run_lammps': [('input_file',), ('structure_file',), ('potential_file',)],
'convert_lammps_structural_format': [('structure_file',)],
}

# Get the argument names that contain file paths for this tool
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2 changes: 1 addition & 1 deletion agents/matmaster_agent/sub_agents/LAMMPS_agent/constant.py
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@
LAMMPS_BOHRIUM_EXECUTOR = copy.deepcopy(BohriumExecutor)
LAMMPS_BOHRIUM_EXECUTOR['machine']['remote_profile'][
'image_address'
] = 'registry.dp.tech/dptech/lammps-agent:a6d43c87'
] = 'registry.dp.tech/dptech/lammps-agent:7035a9bf'
LAMMPS_BOHRIUM_EXECUTOR['machine']['remote_profile'][
'machine_type'
] = 'c16_m64_1 * NVIDIA 4090'
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