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Can we run MD simulations with LAMMPS using 4G-HDNNP trained model?

Status: Open.

#205 In CompPhysVienna/n2p2;

· omarumkc opened on Nov 14, 2024

Question about #use_old_weights_short

Status: Open.

#204 In CompPhysVienna/n2p2;

· QASIM192 opened on Aug 31, 2024

any information about #use_old_weights_short

Status: Open.

#203 In CompPhysVienna/n2p2;

· QASIM192 opened on Aug 31, 2024

A question about the command "nnp-prune sensitivity 0.5 max" in doc.

Status: Open.

#202 In CompPhysVienna/n2p2;

· DongCG opened on Apr 20, 2024

Make error: multiple target patterns. Stop

Status: Open.

#201 In CompPhysVienna/n2p2;

· ProodjePindakaas opened on Apr 9, 2024

N2P2 Checkpointing

Status: Open.

#200 In CompPhysVienna/n2p2;

· absrocks opened on Mar 7, 2024

Negative Memory values in the "Estimated Memory Usage For Training" section

Status: Open.

#199 In CompPhysVienna/n2p2;

· byomkesh13 opened on Feb 18, 2024

Regarding input.data

Status: Open.

#198 In CompPhysVienna/n2p2;

· 1997sankha opened on Feb 6, 2024

ASE LAMMPSrun with lammps-nnp binary

Status: Open.

#197 In CompPhysVienna/n2p2;

· TomaSusi opened on Jan 18, 2024

Can LAMMPS run Weighted symmetry function trained MD? It is not support on CP2K.

Status: Open.

#196 In CompPhysVienna/n2p2;

· wangjiuning123 opened on Dec 19, 2023

Issues in linking with the GSL CBLAS library

Status: Open.

#195 In CompPhysVienna/n2p2;

· gkaf89 opened on Oct 18, 2023

How to specify the test set instead of random split

Status: Open.

#194 In CompPhysVienna/n2p2;

· phys-chem opened on Oct 5, 2023