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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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add a script to shift potential energy to zero
#690
tamaswells
closed
1 month ago
0
No nep2
#689
brucefan1983
closed
1 month ago
0
update several tutorial
#688
hityingph
closed
1 month ago
2
totally remove NEP2
#687
brucefan1983
closed
1 month ago
0
Remove nep2 totally
#686
brucefan1983
closed
1 month ago
0
2 link references are corrected
#685
Yanzhou-Wang
closed
1 month ago
1
typewise cutoff factors
#684
brucefan1983
closed
1 month ago
0
do not seed for default velocity
#683
brucefan1983
closed
2 months ago
0
Adding reminder to check the input xyz file.
#682
yyxwjq
closed
1 month ago
3
Update publications.bib
#681
hailan2005
closed
2 months ago
2
update convergence check
#680
zhyan0603
closed
2 months ago
0
Add files via upload
#679
zhangyuwen984
closed
2 months ago
0
Update publications.bib
#678
hailan2005
closed
2 months ago
0
Separate deform Functionality for Mechanical Calculations
#677
Jonsnow-willow
opened
2 months ago
1
Add random force
#676
brucefan1983
closed
2 months ago
0
Custom loss function
#675
arianaqyp
closed
2 months ago
0
fix a link in doc
#673
brucefan1983
closed
2 months ago
0
remove unused variables
#672
brucefan1983
closed
2 months ago
0
Add d3 functional
#671
brucefan1983
closed
2 months ago
0
Make sure velocity correction starts from the beginning
#670
brucefan1983
closed
2 months ago
0
doc for add_force and add_efield
#669
brucefan1983
closed
2 months ago
0
correct velocity for different groups
#668
brucefan1983
closed
2 months ago
0
CUDA Error:700 Error text: an illegal memory access was encountered
#667
Bowen-677
closed
3 months ago
4
correct linear and angular momenta at regular intervals
#666
brucefan1983
closed
2 months ago
0
set counter to 0 upon finished
#665
brucefan1983
closed
3 months ago
0
Update publications.bib
#664
hailan2005
closed
3 months ago
0
How to output unwrap coordinates?
#663
lujunfeng1
opened
3 months ago
1
Add efield
#662
brucefan1983
closed
3 months ago
0
fix energy bug for multi-gpu
#661
brucefan1983
closed
3 months ago
0
typewise cutoffs
#660
brucefan1983
closed
3 months ago
2
the eigenvector. out output from the phono function module is a binary file.
#659
3183427473
closed
1 month ago
1
Add force
#658
brucefan1983
closed
3 months ago
0
correct typo in doc
#657
brucefan1983
closed
3 months ago
0
Improve shock NEMD ensembles
#656
psn417
closed
3 months ago
0
it would be better if GPUMD could consider constant potential.
#655
linger1234567
opened
3 months ago
1
update reference data for regression tests
#654
brucefan1983
closed
3 months ago
0
Default velocity
#653
brucefan1983
closed
3 months ago
0
add contributor
#652
brucefan1983
closed
3 months ago
0
Update publications.bib
#651
hailan2005
closed
3 months ago
0
fixed a bug and brought compile workflows for GPUMD
#650
DragonPara
closed
3 months ago
0
Fixed bug in RDF calculations using small boxes
#649
AmbroseWong
closed
3 months ago
1
fix compile bug in structure.cu
#648
DragonPara
closed
3 months ago
1
Using the variable CUDA-ARCH instead of hard coding
#647
DragonPara
closed
3 months ago
0
Fix typo in doc of dump_piston
#646
mushroomfire
closed
3 months ago
0
A BUG of compute_rdf
#645
zhyan0603
closed
3 months ago
1
add convergence checks
#644
zhyan0603
closed
3 months ago
0
Update publications.bib
#643
hailan2005
closed
3 months ago
0
mini-batch training
#642
brucefan1983
closed
3 months ago
0
allow for tune normalization
#640
brucefan1983
closed
3 months ago
0
Update publications.bib
#639
hailan2005
closed
4 months ago
0
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