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bigd4
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PyNEP
A python interface of NEP
MIT License
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Not show c++ infomation
#26
bigd4
closed
1 month ago
0
Feature request : Option to disable potential parameters printing
#25
naik-aakash
closed
1 month ago
1
优化
#24
psn417
closed
5 months ago
0
Shuffle XYZ
#23
chejunwei2
opened
6 months ago
2
Update setup.py
#22
qhjia
closed
6 months ago
0
update pynep
#21
Jonsnow-willow
closed
6 months ago
0
update nep_cpu
#20
Jonsnow-willow
closed
10 months ago
0
Package PyNEP to anaconda to support conda installation.
#19
XiTanna
opened
1 year ago
0
Update io.py
#18
Kick-H
closed
1 year ago
1
Can Pynep's calculator be used for molecular dynamics calculations in ASE?
#17
Jonsnow-willow
closed
1 year ago
2
Updata NEP-CPU
#16
Jonsnow-willow
closed
1 year ago
2
plot_select_structure.py questions
#15
MES-physics
opened
1 year ago
1
plot_errorvsdistance.py ValueError
#14
MES-physics
opened
1 year ago
6
add energies
#13
psn417
closed
1 year ago
0
KeyError: forces
#12
MES-physics
closed
1 year ago
9
How to run select.py?
#11
MES-physics
closed
1 year ago
2
Can't find pynep
#10
MES-physics
closed
1 year ago
4
Update io.py
#9
Kick-H
closed
1 year ago
0
Update io.py
#8
Kick-H
closed
1 year ago
0
Update io.py
#7
Kick-H
closed
1 year ago
0
Update io.py
#6
tamaswells
closed
1 year ago
0
Update io.py
#5
Kick-H
closed
1 year ago
0
Update README.md
#4
Kick-H
closed
1 year ago
0
Mainly for the number of virial components in format exyz.
#3
Kick-H
closed
1 year ago
1
Adapt to the extend xyz file
#2
Kick-H
closed
1 year ago
0
ValueError: vector
#1
kkly1995
closed
2 years ago
4