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Add Paddle support to Deepmd and Lammps #1699

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Commits on May 10, 2022

  1. include paddlefluid framework and inference in order to devleop deepm…

    …d inference part with lammps/gromacs
    
    Add PaddleDeepPot
    
    add & fix
    
    add pairpaddledeepmd
    
    lmp_compile add paddle_inference
    
    Add PaddleDeepPot and change CMakeLists.txt
    
    not compile ipi
    
    fix compile error
    
    add nlist
    
    finish nlist case
    
    move input tensor to paddle_common
    
    add multi model
    
    fix half
    
    fix
    
    fix 2
    
    fix 3
    
    fix error
    
    fix error2
    
    fix error3
    
    fix error3
    
    fix error
    
    fix error
    
    fix error
    
    finish fixes (multi model issue commented)
    
    fix last compiling issue
    
    fix pair_paddledeepmd issues
    
    updatet
    
    fix
    
    fix error
    
    fix
    
    fix
    
    fix
    
    rename pair files
    
    remove unnecessary files
    
    change some wrong float back to double
    
    remove tf
    
    fix env.sh.in
    
    add custom op, change c++11 to c++14
    
    add pd_infer_custom_op lib
    
    task
    
    fix linking env.sh.in
    
    update
    
    add deeppot UT
    
    CPU native run works in lmp_serial!
    
    remove test_copy folder
    
    update paddle lib path
    
    improve math lib function
    
    add compiling scripts
    
    remove logging
    
    update
    
    update
    
    improve cmake custom ops
    
    fix for training
    
    fix output mapping
    
    update
    
    fix findTF with py and without cpp
    
    Update README.md
    
    remove settig folder
    leeleolay authored and lidanqing-intel committed May 10, 2022
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Commits on May 11, 2022

  1. Configuration menu
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Commits on May 13, 2022

  1. fix lib path bug

    lidanqing-intel committed May 13, 2022
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Commits on May 16, 2022

  1. update .bashrc

    update bash script
    
    add test files
    
    fixed training and inference for same commit sha
    
    remove setting
    
    update model path
    lidanqing-intel committed May 16, 2022
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  2. update rcut

    lidanqing-intel committed May 16, 2022
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  3. Configuration menu
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Commits on May 18, 2022

  1. update

    update
    
    Fix default LOW_PREC
    lidanqing-intel committed May 18, 2022
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  2. Update README.md

    Update in.lammps
    
    revise in script
    
    Delete model.pdiparams
    
    Delete model.pdiparams.info
    
    Delete model.pdmodel
    
    Delete .bashrc
    
    test
    
    Delete compile_paddle.sh
    
    Delete compile_lammps.sh
    
    Delete compile_deepmd.sh
    
    Update env.sh.in
    
    Update FindFluid.cmake
    
    revise pd_ops install location
    
    change absolute path to $paddle_root
    
    update
    
    Update .gitmodules
    
    update
    leeleolay authored and lidanqing-intel committed May 18, 2022
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  3. add back tests folder

    lidanqing-intel committed May 18, 2022
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Commits on Aug 26, 2022

  1. support training & inference results

    Your Name committed Aug 26, 2022
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Commits on Oct 11, 2022

  1. revise error

    leeleolay committed Oct 11, 2022
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