reactive potential by deepmd-kit

[zjd11]

Hello, developer of deepmd-kit
I want to train a reactive potential by deepmd-kit. I have noticed a example input file in dpgen in which force are calculated by GAUSSIAN, NOT by VASP.
I want to know whether vasp can be used to calculate force and produce the train set for deepmd-kit.
Or in this case, what are the advantages of using Gaussian than VASP?
Thanks for your time.
jidong

[njzjz]

DeePMD-kit does not relate to any specific first-principle software. You can use whatever you like.

…

On Nov 17, 2021, at 07:37, zjd11 ***@***.***> wrote:  Hello, developer of deepmd-kit I want to train a reactive potential by deepmd-kit. I have noticed a example input file in dpgen in which force are calculated by GAUSSIAN, NOT by VASP. I want to know whether vasp can be used to calculate force and produce the train set for deepmd-kit. Or in this case, what are the advantages of using Gaussian than VASP? Thanks for your time. jidong — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub, or unsubscribe.