GitLab

move submodules into 3rdparty except mace-bench, rename mace-bench to batchASE, add example folder as shell example

  (molecular, crystal structure, compute, run mode, path)
- Refactor search_gen_proc.sh to source config.sh instead of
  hardcoding parameters, with optional config path argument
- Refactor structure_generate.py to load config.sh via exec(),
  replacing hardcoded values with config-driven parameters
- Remove mace-bench (the relaxation part, it will be replaced by updated seperate mace-bench project )

adds more comments

Add more informations

Add chmod instruction for execution permissions

Added note about using chmod for execution permissions.

Fix formatting in installation instructions

Added optimization command details for 7net in README.

Updated optimization command for 7net in README.

add comments for more clear

Fix

Unix type

Unix type

fix a bug of not existing script

change some default setting to make the default more reasonable.