diff --git a/Fe3GeTe2_fdf_test.pickle b/Fe3GeTe2_fdf_test.pickle index e9dd0e4..96c8f8c 100644 Binary files a/Fe3GeTe2_fdf_test.pickle and b/Fe3GeTe2_fdf_test.pickle differ diff --git a/src/grogupy/grogu.py b/src/grogupy/grogu.py index dbddcb7..dbc3630 100644 --- a/src/grogupy/grogu.py +++ b/src/grogupy/grogu.py @@ -115,7 +115,6 @@ def parse_command_line() -> dict: type=int, help="Parameter tuning the distribution on the contour", ) - parser.add_argument( "--parallel-green", dest="parallel_solver_for_Gk", @@ -554,5 +553,6 @@ if __name__ == "__main__": simulation_parameters = process_input_args( DEFAULT_ARGUMENTS, fdf_arguments, command_line_arguments, ACCEPTED_INPUTS ) - print(simulation_parameters) + + # run grogupy main(simulation_parameters, magnetic_entities, pairs) diff --git a/src/grogupy/io.py b/src/grogupy/io.py index 8448396..282f95a 100644 --- a/src/grogupy/io.py +++ b/src/grogupy/io.py @@ -253,7 +253,7 @@ def print_job_description(simulation_parameters: dict) -> None: "================================================================================================================================================================" ) try: - print(f"SLURM job ID: {environ["SLURM_JOB_ID"]}") + print(f"SLURM job ID: {environ['SLURM_JOB_ID']}") except: print("SLURM job ID not found.") print("Input file: ") @@ -314,7 +314,7 @@ def print_parameters(simulation_parameters: dict) -> None: "================================================================================================================================================================" ) try: - print(f"SLURM job ID: {environ["SLURM_JOB_ID"]}") + print(f"SLURM job ID: {environ['SLURM_JOB_ID']}") except: print("SLURM job ID not found.") print("Input file: ")