Merge pull request #1 from hjhk258/main

Fix

Merge pull request #1 from hjhk258/main
Fix
273418ee · zcxzcx1 · GitHub · 7fb73825 · 9d7b4f63 · 273418ee
Unverified Commit 273418ee authored Dec 02, 2025 by zcxzcx1 Committed by GitHub Dec 02, 2025
20 changed files
--- a/mace-bench/reproduce/subtest.sh
+++ b/mace-bench/reproduce/subtest.sh
-#!/bin/bash
+

 top_dir=$(pwd)


--- a/mace-bench/reproduce/subtest_baseline.sh
+++ b/mace-bench/reproduce/subtest_baseline.sh
-#!/bin/bash
+

 top_dir=$(pwd)


--- a/mace-bench/requirements.txt
+++ b/mace-bench/requirements.txt
--- a/mace-bench/scripts/mace_opt_batch.py
+++ b/mace-bench/scripts/mace_opt_batch.py
--- a/mace-bench/setup.py
+++ b/mace-bench/setup.py
--- a/mace-bench/src/BOMLIP_CSP.egg-info/PKG-INFO
+++ b/mace-bench/src/BOMLIP_CSP.egg-info/PKG-INFO
--- a/mace-bench/src/BOMLIP_CSP.egg-info/SOURCES.txt
+++ b/mace-bench/src/BOMLIP_CSP.egg-info/SOURCES.txt
--- a/mace-bench/src/BOMLIP_CSP.egg-info/dependency_links.txt
+++ b/mace-bench/src/BOMLIP_CSP.egg-info/dependency_links.txt
--- a/mace-bench/src/BOMLIP_CSP.egg-info/top_level.txt
+++ b/mace-bench/src/BOMLIP_CSP.egg-info/top_level.txt
--- a/mace-bench/src/batchopt/__init__.py
+++ b/mace-bench/src/batchopt/__init__.py
--- a/mace-bench/src/batchopt/__pycache__/__init__.cpython-310.pyc
+++ b/mace-bench/src/batchopt/__pycache__/__init__.cpython-310.pyc
--- a/mace-bench/src/batchopt/__pycache__/atoms_to_graphs.cpython-310.pyc
+++ b/mace-bench/src/batchopt/__pycache__/atoms_to_graphs.cpython-310.pyc
--- a/mace-bench/src/batchopt/__pycache__/baseline.cpython-310.pyc
+++ b/mace-bench/src/batchopt/__pycache__/baseline.cpython-310.pyc
--- a/mace-bench/src/batchopt/__pycache__/pbc_graph.cpython-310.pyc
+++ b/mace-bench/src/batchopt/__pycache__/pbc_graph.cpython-310.pyc
--- a/mace-bench/src/batchopt/__pycache__/pbc_graph_legacy.cpython-310.pyc
+++ b/mace-bench/src/batchopt/__pycache__/pbc_graph_legacy.cpython-310.pyc
--- a/mace-bench/src/batchopt/__pycache__/relaxengine.cpython-310.pyc
+++ b/mace-bench/src/batchopt/__pycache__/relaxengine.cpython-310.pyc
--- a/mace-bench/src/batchopt/__pycache__/utils.cpython-310.pyc
+++ b/mace-bench/src/batchopt/__pycache__/utils.cpython-310.pyc
--- a/mace-bench/src/batchopt/atoms_to_graphs.py
+++ b/mace-bench/src/batchopt/atoms_to_graphs.py
--- a/mace-bench/src/batchopt/baseline.py
+++ b/mace-bench/src/batchopt/baseline.py
--- a/mace-bench/src/batchopt/extensions/__init__.py
+++ b/mace-bench/src/batchopt/extensions/__init__.py