• Jinze Xue's avatar
    CUAEV double backward for force training (#571) · 813f6e61
    Jinze Xue authored
    
    
    * init
    
    * init
    
    * double backward test
    
    * fix doublebackward test
    
    * add another test
    
    * rm gaev
    
    * radial done
    
    * angular init
    
    * angular done
    
    * update
    
    * force training benchmark
    
    * format
    
    * update
    
    * benchmark
    
    * update
    
    * update
    
    * clean redundancy codes
    
    * update
    
    * adapt review request
    
    * update
    
    * update
    
    * update
    
    * update
    
    * update
    
    * update
    
    * fix
    
    * fix
    
    * cuAngularAEVs code deduplicate
    
    * pairwise double backward
    
    * cuRadialAEVs dedup
    
    * pairwiseDistance dedup
    
    * format
    
    * readme build notes
    
    * save
    
    * update
    
    * save
    
    * save
    
    * update
    
    * fix
    
    * save
    
    * add equations on comments
    Co-authored-by: default avatarGao, Xiang <qasdfgtyuiop@gmail.com>
    813f6e61
aev-benchmark-size.py 4.42 KB