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fix json
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Signed-off-by: Jinzhe Zeng <[email protected]>
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njzjz committed Aug 23, 2023
1 parent 6df2107 commit 143bb99
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions tests/generator/param-mg-vasp-v1.json
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@
],
"sys_batch_size": [1,1],

"_comment": " 00.train ",
"_comment1": " 00.train ",
"numb_models": 4,
"default_training_param" : {
"model" : {
Expand Down Expand Up @@ -57,8 +57,8 @@

"seed": 1,

"_comment": " display and restart",
"_comment": " frequencies counted in batch",
"_comment2": " display and restart",
"_comment3": " frequencies counted in batch",
"disp_file": "lcurve.out",
"disp_freq": 1000,
"numb_test": 1,
Expand All @@ -72,8 +72,8 @@
}
},

"_comment": " 01.model_devi ",
"_comment": "model_devi_skip: the first x of the recorded frames",
"_comment4": " 01.model_devi ",
"_comment5": "model_devi_skip: the first x of the recorded frames",
"model_devi_dt": 0.002,
"model_devi_skip": 0,
"model_devi_f_trust_lo": 0.05,
Expand All @@ -82,14 +82,14 @@
"model_devi_jobs": [
{ "_idx": 0, "ensemble": "npt", "nsteps": 50, "press": [1.0,2.0], "sys_idx": [0, 1], "temps": [50,100], "trj_freq": 10 }
],
"_comment": " 02.fp ",
"_comment6": " 02.fp ",
"fp_style": "vasp",
"shuffle_poscar": false,
"fp_task_max": 8,
"fp_task_min": 2,
"fp_pp_path": "/home/wanghan/study/deep.md/dpgen/almg/vasp",
"fp_pp_files": ["POTCAR.Al", "POTCAR.Mg"],
"fp_incar": "/home/wanghan/study/deep.md/dpgen/almg/vasp/INCAR",
"_comment": " that's all "
"_comment7": " that's all "
}

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