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Add Paddle support to Deepmd and Lammps #1699
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Add Paddle support to Deepmd and Lammps #1699
lidanqing-intel
wants to merge
11
commits into
deepmodeling:paddle-backup
from
lidanqing-intel:paddle
Commits on May 10, 2022
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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
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Commits on May 11, 2022
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Commits on May 13, 2022
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Commits on May 16, 2022
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update bash script add test files fixed training and inference for same commit sha remove setting update model path
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Commits on May 18, 2022
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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
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Commits on Aug 26, 2022
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support training & inference results
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Commits on Oct 11, 2022
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