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67 Open 85 Closed
67 Open 85 Closed
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Issues list

Can we run MD simulations with LAMMPS using 4G-HDNNP trained model?
#205 opened Nov 14, 2024 by omarumkc
Question about #use_old_weights_short
#204 opened Aug 31, 2024 by QASIM192
1
any information about #use_old_weights_short
#203 opened Aug 31, 2024 by QASIM192
A question about the command "nnp-prune sensitivity 0.5 max" in doc.
#202 opened Apr 20, 2024 by DongCG
1
Make error: multiple target patterns. Stop
#201 opened Apr 9, 2024 by ProodjePindakaas
N2P2 Checkpointing
#200 opened Mar 7, 2024 by absrocks
Negative Memory values in the "Estimated Memory Usage For Training" section
#199 opened Feb 18, 2024 by byomkesh13
Regarding input.data
#198 opened Feb 6, 2024 by 1997sankha
ASE LAMMPSrun with lammps-nnp binary
#197 opened Jan 18, 2024 by TomaSusi
7
Can LAMMPS run Weighted symmetry function trained MD? It is not support on CP2K.
#196 opened Dec 19, 2023 by wangjiuning123
Issues in linking with the GSL CBLAS library
#195 opened Oct 18, 2023 by gkaf89
How to specify the test set instead of random split
#194 opened Oct 5, 2023 by phys-chem
extraction of derivative of hidden layers w.r.t symmetry function
#193 opened Sep 19, 2023 by shubhamdongriyal
nnp-comp2 select
#192 opened May 25, 2023 by akshay818
LAMMPS NNP Interface
#191 opened Apr 28, 2023 by Peterkinaj
n2p2, The nnp potential of three elements ( eg : Cu, S, C ), can be used in MD simulations of two elements ?(eg: Cu2S) question Further information is requested
#190 opened Mar 15, 2023 by YK-KK
1
Data set normalization
#186 opened Feb 5, 2023 by msa9822
Include an "inner cutoff" that suppresses the symmetry function values at short distances.
#184 opened Jan 17, 2023 by xyttyxy
Compute Stress n2p2/lammps interface
#183 opened Jan 9, 2023 by Matheus-Novoa
Cannot declare multiple elements
#182 opened Nov 10, 2022 by daniel-sintef
difficulty to compile interface to LAMMPS (version 3 Nov 2022)
#181 opened Nov 10, 2022 by afalaize
4
N2P2/Lammps interface for performing 4G-HDNNP MD simulations.
#180 opened Nov 4, 2022 by ANCHENMA
2
Training on data with very low (<0.05 eV/A) forces - large force errors
#178 opened Oct 21, 2022 by vsumaria
Excessive time spent on MPI Bcast in nnp-train
#177 opened Oct 19, 2022 by mikejwaters
1
installation problem
#176 opened Sep 23, 2022 by Drawthe
3
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