Issues
- 4
[BUG] Using DPGEN2 combines DPA2 model and first-princeple calculation(VASP) to label the alloy data, iteration 0 is normal, but iteration 1 is abnormal
#210 opened by Jeremy1189 - 1
dpgen2 can not support CP2K
#180 opened by smclucky - 2
implement more OPs and workflows
#64 opened by njzjz - 1
Request for new features: stage-specific parameters for explore and fp, finetune/iter-initial-modle distinguishing training parameters
#216 opened by Vibsteamer - 1
- 1
可否提供dpgen2 slurm调用示例
#235 opened by Tengfei9228 - 1
dpgen2 如何使用slurm调度 进行流程作业提交
#230 opened by Tengfei9228 - 1
dpgen2如何直接使用slurm构建input.json
#223 opened by Tengfei9228 - 0
Support different backends for DeePMD-kit
#186 opened by njzjz - 2
dpgen2 showkey seems not work at debug mode
#192 opened by scott-5 - 2
how to set group_size in run_train_config?
#191 opened by scott-5 - 2
RFC: Refactor DPGEN2 with a new design
#185 opened by link89 - 1
Does dpgen2 support use in HPC?
#189 opened by scott-5 - 0
System.from does not suppot the mixed_type data
#153 opened by Manyi-Yang - 1
Inpurt script switches to json5 format
#94 opened by wanghan-iapcm - 0
Implement Gaussian
#99 opened by wanghan-iapcm - 1
- 1
User interface for resubmitting workflow
#59 opened by wanghan-iapcm - 1
Use dargs to parse the input files.
#60 opened by amcadmus - 1
automatic docs
#34 opened by njzjz - 2
read the doc for dpgen2
#72 opened by wanghan-iapcm - 0
skip the training in the first iteration
#73 opened by wanghan-iapcm - 3
CH4 example needs update
#66 opened by wanghan-iapcm - 0
- 0
The CICD of the project
#15 opened by wanghan-iapcm - 0
Bug: exceeded workflow templates limited
#28 opened by wanghan-iapcm - 0
Implement the op CollectData
#11 opened by wanghan-iapcm - 0
Implement the op RunVasp
#3 opened by wanghan-iapcm - 0
Implement the op PrepVasp
#4 opened by wanghan-iapcm - 0
Implement the op RunLmp
#2 opened by wanghan-iapcm - 0
Dump LAMMPS HDF5 trajectory
#7 opened by njzjz - 0