Format fix. More options in readme

2409a22f · fanding2000 · ce29afea · ce29afea · 2409a22f · ce29afea
Commit 2409a22f authored Dec 01, 2025 by fanding2000
20 changed files
--- a/mace-bench/src/batchopt/extensions/__pycache__/__init__.cpython-310.pyc
+++ b/mace-bench/src/batchopt/extensions/__pycache__/__init__.cpython-310.pyc
--- a/mace-bench/src/batchopt/extensions/cuda_ops/__init__.py
+++ b/mace-bench/src/batchopt/extensions/cuda_ops/__init__.py
--- a/mace-bench/src/batchopt/extensions/cuda_ops/__pycache__/__init__.cpython-310.pyc
+++ b/mace-bench/src/batchopt/extensions/cuda_ops/__pycache__/__init__.cpython-310.pyc
--- a/mace-bench/src/batchopt/pbc_graph.py
+++ b/mace-bench/src/batchopt/pbc_graph.py
--- a/mace-bench/src/batchopt/pbc_graph_legacy.py
+++ b/mace-bench/src/batchopt/pbc_graph_legacy.py
--- a/mace-bench/src/batchopt/relaxation/__init__.py
+++ b/mace-bench/src/batchopt/relaxation/__init__.py
--- a/mace-bench/src/batchopt/relaxation/__pycache__/__init__.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/__pycache__/__init__.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/__pycache__/ase_utils.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/__pycache__/ase_utils.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/__pycache__/optimizable.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/__pycache__/optimizable.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/ase_utils.py
+++ b/mace-bench/src/batchopt/relaxation/ase_utils.py
--- a/mace-bench/src/batchopt/relaxation/optimizable.py
+++ b/mace-bench/src/batchopt/relaxation/optimizable.py
--- a/mace-bench/src/batchopt/relaxation/optimizers/__init__.py
+++ b/mace-bench/src/batchopt/relaxation/optimizers/__init__.py
--- a/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/__init__.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/__init__.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/bfgs_torch.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/bfgs_torch.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/bfgsfusedls.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/bfgsfusedls.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/bfgslinesearch_torch.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/bfgslinesearch_torch.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/lbfgs_torch.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/lbfgs_torch.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/linesearch_torch.cpython-310.pyc
+++ b/mace-bench/src/batchopt/relaxation/optimizers/__pycache__/linesearch_torch.cpython-310.pyc
--- a/mace-bench/src/batchopt/relaxation/optimizers/bfgs_torch.py
+++ b/mace-bench/src/batchopt/relaxation/optimizers/bfgs_torch.py
--- a/mace-bench/src/batchopt/relaxation/optimizers/bfgsfusedls.py
+++ b/mace-bench/src/batchopt/relaxation/optimizers/bfgsfusedls.py