.github build(deps): bump pypa/cibuildwheel from 2.21 to 2.22 (#4408) Nov 24, 2024 backend breaking(pt): drop PyTorch 2.0 support (#4383) Nov 20, 2024 data style: add-> Nonetype hints and apply TCH and PYI rules (#4352) Nov 14, 2024 ...
.github backend data deepmd doc _static data development freeze getting-started images inference cxx.md index.rst nodejs.md python.md install model nvnmd test third-party train troubleshooting Makefile README api_op.rst backend.md cli.rst conf.py credits.rst env.md environment.yml index.rst ...
importdpdatad_outcar=dpdata.LabeledSystem("./OUTCAR",fmt="vasp/outcar")d_outcar.to_deepmd_raw("./raw/")d_outcar.to_deepmd_npy("./npy/") 这里的fmt对于不同的软件输出可以更换成不同的,具体参考下表(来自dpdata github网站) 其中to_deepmd_raw会生成如下几个文件 to_deepmd_raw则会生成如下几...
Projects Security Insights Additional navigation options Files master .github backend data deepmd deepmd_utils doc _static data development freeze compress.md freeze.md index.md index.rst getting-started images inference install model nvnmd test
Visit the project: https://github.com/deepmodeling/deepmd-kit Click the Fork button on the top right and wait it to finish. Step 2: Clone the forked repository to local storage and set configurations Clone your own repo, not the public repo (from deepmodeling) ! And change the branch to...
cd/some/workspace git clone --recursive https://github.com/deepmodeling/deepmd-kit.git deepmd-kit For convenience, you may want to record the location of source to a variable, sayingdeepmd_source_dirby cddeepmd-kit deepmd_source_dir=`pwd` ...
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feat: DeepEval.get_model_def_script and common dp show Test Python #8873: Pull request #4131 synchronize by njzjz njzjz:common-dp-show September 17, 2024 00:44 43m 19s feat: DeepEval.get_model_def_script and common dp show Test CUDA #3356: Pull request #4131 synchronize by ...