Huairou Relax Job
Generate: sh cli/g_gen.sh new
Cifer: sh cli/cifer.sh <file>
Relax: sh cli/relax_one.sh <path/to/csv> <random_seed>
python ~/openlam-hack/cli/relax_cli.py ~/output_new_21955.csv ~/10w_21955 --model ~/openlam-hack/models/force_field/dp0929.pth --fmax 0.05 --steps 200 --keep_converged --primitive
python ~/openlam-hack/cli/relax_cli.py ~/output_new_21955.csv ~/10w_21955 --model ~/openlam-hack/models/force_field/dp0929.pth --fmax 0.05 --steps 200 --keep_converged --primitive
Relax on huairou: cd ~/openlam-hack; gpt orb ; python ~/openlam-hack/cli/relax_cli.py ~/structures.csv ~/result --model orb --fmax 0.01 --steps 500 --keep_converged --primitive