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CompPhysVienna
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n2p2
n2p2 - A Neural Network Potential Package
https://compphysvienna.github.io/n2p2/
GNU General Public License v3.0
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How do I check if n2p2 is installed correctly?
#152
omorrison1
opened
2 years ago
3
Kalman Filter Optimizer
#151
moabe84
opened
2 years ago
1
Problems using RuNNer potential in Lammps MD
#150
Matheus-Novoa
opened
2 years ago
3
Memory used by N2P2
#149
xywang58
opened
2 years ago
5
Using nnp-checkf -- error: symbol lookup error
#148
vsumaria
opened
2 years ago
1
Impact of data set normalization on energy RMSE
#147
moabe84
opened
2 years ago
1
error from nnp-scaling due to the size of input.data
#146
JJiang-Amoy
closed
2 years ago
1
MacOS 'Eigen/Core' file not found
#145
fireballpoint1
opened
2 years ago
1
Problem with building nnp-scaling
#144
rajorshichat
opened
2 years ago
2
Compatibility of RuNNer potential with n2p2
#143
philippmisof
closed
2 years ago
2
Wrapping pynnp into an ASE calculator
#142
mikejwaters
opened
2 years ago
19
Feature Vector Retrieval
#141
omorrison1
opened
2 years ago
2
Implementing the Single Neural Network in N2P2
#140
omorrison1
opened
2 years ago
1
Build fails: makefile:153: *** multiple target patterns.
#139
yurivict
closed
2 years ago
2
WARNING: Structure # Atom # : # neighbors.
#138
Matheus-Novoa
opened
2 years ago
2
Final "global_activation_short" seems to have no effect
#137
patrick-austin
opened
2 years ago
3
Requesting polynomial SFs with compact support: usage example on CuS
#136
xyttyxy
opened
2 years ago
1
utils.h missing in LAMMPS/USER-NNP cpp file 'pair_nnp.cpp'
#135
yliu1240
closed
2 years ago
2
random_seed not found during nnp-scaling
#134
fireballpoint1
closed
2 years ago
0
Installing dependencies for making nnp-norm
#133
fireballpoint1
opened
2 years ago
3
Training Error
#132
r-hou
closed
2 years ago
1
Compute pe/atom in LAMMPS interface does not include normalization offset
#131
owenrett
closed
2 years ago
3
Work around MPI compilation failures when cross-compiling LAMMPS to Windows
#130
akohlmey
closed
2 years ago
1
Symmetry Functions
#129
Matheus-Novoa
closed
2 years ago
1
Implementing the (relative) error of forces as a cost function
#128
Akram-Ibrahim
opened
2 years ago
4
How to update the NNP model with new data?
#127
Akram-Ibrahim
closed
2 years ago
2
Gap between training set and test set RMSE in energy
#126
juraskov
opened
2 years ago
0
Weight.????.epoch Files
#125
Matheus-Novoa
closed
2 years ago
8
Error using nnp-norm
#124
Matheus-Novoa
closed
2 years ago
2
NaN potential energy in LAMMPS
#123
omorrison1
closed
2 years ago
13
Is N2P2 capable to predict long range interactions?
#122
Matheus-Novoa
closed
2 years ago
8
Training with forces - using only certain atoms
#121
vsumaria
opened
2 years ago
2
LAMMPs MD Simulation Extrapolation Warnings?
#120
omorrison1
closed
2 years ago
4
File with the symmetry functions
#119
E-4841
closed
2 years ago
1
nnp-prediction
#118
abhirup86
closed
3 years ago
0
Pynnp
#117
mozhde
closed
2 years ago
2
Allow overriding make
#116
akohlmey
closed
2 years ago
0
'install' fails with target 'libnnpif'
#115
yurivict
closed
2 years ago
2
Please use $(MAKE) for GNU make executable
#114
yurivict
closed
2 years ago
0
pynnp example
#113
cengc13
closed
3 years ago
2
LAMMPS interface can not be compiled with current stable version of LAMMPS
#112
mastricker
closed
3 years ago
2
Meaning of task_batch_size_energy and task_batch_size_forces
#111
xyttyxy
opened
3 years ago
2
Lost Atoms
#110
vsumaria
closed
2 years ago
1
New data set normalization procedure
#109
singraber
closed
2 years ago
1
New tool to check weight derivatives
#108
singraber
closed
2 years ago
1
4G-HDNNP Training
#107
singraber
opened
3 years ago
1
changed regex seperation in sed for makefile.
#106
DanielMarchand
closed
2 years ago
1
Enhanced nnp-scaling neighbor statistics
#105
singraber
closed
2 years ago
1
Segmentation Fault while using lammps
#104
vsumaria
closed
3 years ago
2
Feat/add stress
#103
DanielMarchand
opened
3 years ago
3
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