update run/dp2.x-lammps-cp2k example #864

HuangJiameng · 2022-08-12T05:16:45Z

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HuangJiameng · 2022-08-12T06:41:13Z

train_param and ratio_failed both work in dpgen run, but why they can't pass the check?

njzjz · 2022-08-12T06:56:41Z

I don't think train_param still works. You can add ratio_failed to arginfo.

`external_input_path` conflict with key `user_fp_params`, so they can not both exist.

HuangJiameng added 3 commits August 12, 2022 13:12

update run/dp2.x-lammps-cp2k example

8e23c87

add example run/dp2.x-lammps-vasp/param_CH4_deepmd-kit-2.0.1.json

427b201

Update param_CH4_deepmd-kit-2.0.1.json

3231c78

HuangJiameng requested a review from njzjz August 12, 2022 06:41

HuangJiameng added 4 commits August 12, 2022 16:22

add ratio_failed for fp_style_vasp_args and fp_style_cp2k_args

280bdbd

delete fp_pp_path and fp_pp_files

f9b5903

Update arginfo.py

663f5f9

`external_input_path` conflict with key `user_fp_params`, so they can not both exist.

change the type of ratio_failed from bool to float

a79c4ee

njzjz approved these changes Aug 12, 2022

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wanghan-iapcm merged commit 741f4cd into deepmodeling:devel Aug 13, 2022

HuangJiameng deleted the update_dp2.x-lammps-cp2k branch September 26, 2022 08:22

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