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brucefan1983
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GPUMD
Graphics Processing Units Molecular Dynamics
https://gpumd.org/dev
GNU General Public License v3.0
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update QQ group numbers
#749
brucefan1983
closed
9 hours ago
0
fix use_table
#748
brucefan1983
closed
12 hours ago
0
Update publications.bib
#747
hailan2005
closed
13 hours ago
0
compute_msd for multiple groups
#746
EsmeeBerger
opened
1 day ago
1
nep5
#745
brucefan1983
closed
13 hours ago
0
remove multi-layer
#744
brucefan1983
closed
2 days ago
0
Add ILP potential of hbn/gr and TMD systems
#743
ouyang-laboratory
opened
3 days ago
0
Update publications.bib
#742
hailan2005
closed
4 days ago
0
small fix
#741
brucefan1983
closed
6 days ago
0
Improved error message for cases where the neighbor number exceeds 1000
#740
mushroomfire
closed
6 days ago
0
Neighbor number is larger than 1024
#739
mushroomfire
closed
6 days ago
1
/usr/include/c++/11/bits/std_function.h:530:146: error: parameter packs not expanded with ‘...’:
#738
flatimewt
opened
1 week ago
1
fix typewise bug
#736
brucefan1983
closed
2 weeks ago
0
Update publications.bib
#735
hailan2005
closed
2 weeks ago
0
specifying virtual atoms
#734
rfhari
opened
2 weeks ago
0
Update publications.bib
#733
hailan2005
closed
2 weeks ago
0
fix typo
#732
zhyan0603
closed
2 weeks ago
0
Update publications.bib
#730
hailan2005
closed
3 weeks ago
0
Update publications.bib
#729
hailan2005
closed
3 weeks ago
0
more flexible lmax
#728
brucefan1983
closed
1 hour ago
0
fixed scaler only
#727
brucefan1983
closed
3 weeks ago
0
Error with MSD and SDC
#725
jmarbues
closed
3 weeks ago
2
Update publications.bib
#724
hailan2005
closed
3 weeks ago
1
Update README.md
#722
shdchen
closed
3 weeks ago
0
Some questions with modify singleframe and add mutipleframe
#720
tang070205
closed
1 month ago
0
Standardize copyright information & Code batch format script
#719
YouQixiaowu
closed
1 month ago
0
pow(double,double)
#718
brucefan1983
closed
1 month ago
0
apply clang-format
#717
YouQixiaowu
closed
1 month ago
0
apply clang-format
#716
YouQixiaowu
closed
1 month ago
0
Create singleFrame-abacus2nep-exyz.sh
#715
tang070205
closed
1 month ago
0
Revise copyright information
#714
YouQixiaowu
closed
1 month ago
0
Free energy calculation of fluids
#713
jmarbues
opened
1 month ago
1
Change keywords for NELM check
#712
zhyan0603
closed
1 month ago
0
fix stress convention
#711
brucefan1983
closed
1 month ago
0
add you qi
#710
brucefan1983
closed
1 month ago
0
Modify the upper limit of MAX_NUM_ELEMENTS_EAM and add the unified EMA 18 element potential function file.
#709
YouQixiaowu
closed
1 month ago
0
indicate master version
#708
brucefan1983
closed
1 month ago
0
prepare for 3.9.5
#706
brucefan1983
closed
1 month ago
0
enable periodic table for multi-layer
#705
brucefan1983
closed
1 month ago
0
Update publications.bib
#704
hailan2005
closed
1 month ago
0
Update publications.bib
#703
hailan2005
closed
1 month ago
0
Multi layers
#702
hfood02
closed
1 month ago
0
Demo version: Neural networks with multiple hidden layers (up to 3 layers)
#701
hfood02
closed
1 month ago
0
fix readme
#700
brucefan1983
closed
1 month ago
0
report error from train.xyz
#699
brucefan1983
closed
1 month ago
1
Update shift_energy_to_zero.py
#698
tamaswells
closed
1 month ago
0
Check nan and inf
#697
brucefan1983
closed
1 month ago
0
small fixes to doc
#693
brucefan1983
closed
1 month ago
0
change folder
#692
brucefan1983
closed
1 month ago
0
add NSW check for AIMD simulations
#691
zhyan0603
closed
1 month ago
1
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