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feature/pyton_conversion

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old-bash-version

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• 3c9edcfa74 up version main Robin Horstmann 2025-08-13 15:39:05 +02:00
• 870dd224fc type in init; emin to python feature/pyton_conversion Robin Horstmann 2025-08-13 15:34:52 +02:00
• 5342dd197f renamed setup_sim->innitialize_sim; introduced annealing python script; outsourced replace_params; run.sh now template Robin 2025-08-13 15:25:27 +02:00
• 076b8d090c made run.sh use physical cores Robin 2025-08-13 15:07:39 +02:00
• 2bed210ed8 setup_sim.sh removed for innitialize_sim; more usage of templates Robin 2025-08-13 14:59:28 +02:00
• 4fe2ad61a3 add remove of egg Robin 2025-08-12 15:35:55 +02:00
• 3090c38694 added setup and toml file; first preliminary script; moved templates Robin 2025-08-12 14:13:53 +02:00
• 22e12c05d2 quick fix to test atomistic systems old-bash-version Robin 2025-08-11 23:11:35 +02:00
• 93d0625ca6 delete deprecated file, fix generate annealing robrobo 2025-08-09 18:26:04 +02:00
• b02fe38415 initial commit robrobo 2025-08-09 13:43:03 +02:00
• dce92e4a2e Initial commit Robin Horstmann 2025-08-09 11:24:35 +00:00