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