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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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correct velocity for different groups
#668
brucefan1983
opened
10 hours ago
0
CUDA Error:700 Error text: an illegal memory access was encountered
#667
Bowen-677
closed
1 hour ago
4
correct linear and angular momenta at regular intervals
#666
brucefan1983
opened
1 day ago
0
set counter to 0 upon finished
#665
brucefan1983
closed
3 days ago
0
Update publications.bib
#664
hailan2005
closed
3 days ago
0
How to output unwrap coordinates?
#663
lujunfeng1
opened
6 days ago
1
Add efield
#662
brucefan1983
closed
3 days ago
0
fix energy bug for multi-gpu
#661
brucefan1983
closed
1 week ago
0
typewise cutoffs
#660
brucefan1983
closed
1 day ago
2
the eigenvector. out output from the phono function module is a binary file.
#659
3183427473
opened
1 week ago
1
Add force
#658
brucefan1983
closed
1 week ago
0
correct typo in doc
#657
brucefan1983
closed
1 week ago
0
Improve shock NEMD ensembles
#656
psn417
closed
1 week ago
0
it would be better if GPUMD could consider constant potential.
#655
linger1234567
opened
1 week ago
1
update reference data for regression tests
#654
brucefan1983
closed
1 week ago
0
Default velocity
#653
brucefan1983
closed
1 week ago
0
add contributor
#652
brucefan1983
closed
1 week ago
0
Update publications.bib
#651
hailan2005
closed
1 week ago
0
fixed a bug and brought compile workflows for GPUMD
#650
DragonPara
closed
1 week ago
0
Fixed bug in RDF calculations using small boxes
#649
AmbroseWong
closed
2 weeks ago
1
fix compile bug in structure.cu
#648
DragonPara
closed
2 weeks ago
1
Using the variable CUDA-ARCH instead of hard coding
#647
DragonPara
closed
2 weeks ago
0
Fix typo in doc of dump_piston
#646
mushroomfire
closed
1 week ago
0
A BUG of compute_rdf
#645
zhyan0603
closed
1 week ago
1
add convergence checks
#644
zhyan0603
closed
2 weeks ago
0
Update publications.bib
#643
hailan2005
closed
3 weeks ago
0
mini-batch training
#642
brucefan1983
closed
3 weeks ago
0
allow for tune normalization
#640
brucefan1983
closed
3 weeks ago
0
Update publications.bib
#639
hailan2005
closed
1 month ago
0
add PCA sampling script
#637
hityingph
closed
1 month ago
1
q_product
#636
brucefan1983
opened
1 month ago
0
try tanh(ax)
#635
brucefan1983
closed
1 month ago
1
calculate stopping_power_loss
#634
Jonsnow-willow
closed
1 month ago
1
Add output for stopping_power_loss in electron_stop
#633
Jonsnow-willow
closed
1 month ago
1
Update publications.bib
#632
hailan2005
closed
1 month ago
0
Update README.md
#631
brucefan1983
closed
1 month ago
0
Update README.md
#630
brucefan1983
closed
1 month ago
0
Add separated parameter for dump_exyz
#629
mushroomfire
closed
1 month ago
1
Nep2345
#628
brucefan1983
closed
1 month ago
0
3.9.4
#626
brucefan1983
closed
1 month ago
0
Update README.md
#625
brucefan1983
closed
1 month ago
0
Questions about NEP descriptors，Why is there an extra factor（2） in the derivation?
#623
gengxingze
closed
1 month ago
5
Update README.md
#622
brucefan1983
closed
1 month ago
0
Update README.md
#621
brucefan1983
closed
1 month ago
0
fix a typo in NEP doc
#620
zhyan0603
closed
1 month ago
0
The BUG of enhance sampling perfomed by gpumd+plumed
#619
XIX-YANG
opened
1 month ago
4
add UNEP-v1
#618
brucefan1983
closed
1 month ago
0
better hyperparameters in snes
#617
brucefan1983
closed
2 months ago
0
3.9.3
#615
brucefan1983
closed
2 months ago
0
allow compute SHC for all group IDs except group ID 0 in a given grouping method
#614
Tingliangstu
closed
2 months ago
2
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