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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
1.45k stars 499 forks source link

Could build plumed in lammps when install deepmd-kit #578

Closed JunboLu closed 3 years ago

JunboLu commented 3 years ago

Hi, I want to use plumed to do metadynamics in lammps when using deep potential. But currently, the lammps compiled by deepmd-kit does not include plumed. It will so kind that developer will add plumed in lammps. With my best regards, Junbo

njzjz commented 3 years ago

Indeed plumed has already been included, if you install from the offline package.

On Apr 29, 2021, at 01:42, Jun-Bo Lu @.***> wrote:

 Hi, I want to use plumed to do metadynamics in lammps when using deep potential. But currently, the lammps compiled by deepmd-kit does not include plumed. It will so kind that developer will add plumed in lammps. With my best regards, Junbo

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