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Help Today: 0|Threads: 151|Rank: 1 

Moderator: Angus
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訓練Cu數據後用Lammps計算彈性常數問題 New huaiting Yesterday 16:31 08 huaiting Yesterday 16:31
Problems with dpdata New Post Larry_H 2021-01-20 3268 Larry_H The day before yesterday 22:35
raw data input files New Post New KoHe The day before yesterday 22:32 010 KoHe The day before yesterday 22:32
dpgen init_bulk 问题 New Post New keng cao The day before yesterday 16:54 014 keng cao The day before yesterday 16:54
DP-GEN 机器配置文件 New Post attach_img miccoui 2021-01-29 2225 IAS383003 3 day(s) ago
DeepMD-kit+lammps New Post Zheng Tengfei 2021-02-23 077 Zheng Tengfei 2021-02-23 00:38
ValueError: cannot reshape array of size 57599 into shape (100,576) New Post huaiting 2021-01-28 0179 huaiting 2021-01-28 14:31
使用dpdata处理cp2kaimd输出遇到的问题 New Post attach_img sirutong 2021-01-20 0239 sirutong 2021-01-20 10:32
训练势函数用于MD模拟的问题 李佳佳 2020-12-16 1482 wangdong2317 2021-01-04 10:45
关于dpdata将lammps-dump文件转化成POSCAR的问题 New Post attach_img ychu-hoo 2020-12-19 0403 ychu-hoo 2020-12-19 15:09
运行dpgen init_bulk 准备初始数据时的一些问题 New Post attach_img wufengnan 2020-12-19 0424 wufengnan 2020-12-19 10:52
Neighbor-List when using Deepmd-Model to calculate total energy with Lammps New Post AlexvMach 2020-12-19 0349 AlexvMach 2020-12-19 01:00
报错:cannot reshape array of size 2808000 into shape (200,57,newaxis) attach_img thx_Foxx 2020-12-13 0430 thx_Foxx 2020-12-13 22:02
发重复了,这条麻烦删掉 New Post thx_Foxx 2020-12-13 0446 thx_Foxx 2020-12-13 21:58
执行init时,维里应力应该如何产生?(virial.npy) attach_img wangdong2317 2020-12-09 1450 wangdong2317 2020-12-11 10:33
[DeePMD] Wannier centers / spectroscopy ago 2020-12-04 0465 ago 2020-12-04 19:10
现在可以使用安培架构的显卡进行训练吗? New Post clzhehehaha 2020-12-02 0462 clzhehehaha 2020-12-02 19:24
如何调整deepmd-kit的模型形式 attach_img jhc 2020-11-21 1567 jhc 2020-11-28 20:03
Confirmation on atomic virial New Post attach_img RPLuo 2020-11-09 3760 KuangYu 2020-11-15 14:24
小体系训练的势应用在大体系 ZJH 2020-11-15 0622 ZJH 2020-11-15 10:17
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