Fengbo Yuan

Results 8 comments of Fengbo Yuan

@canuters how to deal with the f3 method? Is there any way to decorate f3 method as a task?

Maybe you could set `fp` part of dpgen to run locally and submit the `train` and `md` part to Bohrium? @wangyi01

I will add more descriptions later. 1. Yes, I will update the json file soon. 2. This represents the integration path, lambda_soft_on: from pure einstein-solid to einstein-solid+LJ-potential, deep_on: from einstein-solid+LJ-potential...

if we set `if_meam` to true, we will use deep potential to replace deep potential. `meam_model`: the mean model filenames

in two pair LJ potential, the sigma values in LJ-potential's parameters can be different between elements. sigma_0_0: element 0 and element 0 (defined by LAMMPS) sigma_0_1: element 0 and element...

for temp use just modify dpdispatcher/contexts/ssh_context.py _get_file method? (tar_command and split command). For example ``` # Step 1: Create a tar archive tar -cvf archive.tar largefile.txt # Step 2: Split...