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20 Open 169 Closed
20 Open 169 Closed
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Issues list

which version is single-precision computing
#794 opened Nov 22, 2024 by university12138
2
Simulating Twisted Bilayer Graphene (tBLG) with GPUMD: Issue with Combining Potentials
#786 opened Nov 15, 2024 by akabli-younes
1
Request for Enhancement: Degree of Freedom Control and Atomic Shear Stress Output
#779 opened Nov 4, 2024 by kpoyang
Unexpected error with the comment symbol # in "run.in" file. bug
#757 opened Oct 15, 2024 by Yanzhou-Wang
Simulation unstable when using triclinic updates in MTTK integrators
#755 opened Oct 15, 2024 by rashidrafeek
7
specifying virtual atoms
#734 opened Sep 19, 2024 by rfhari
1
Free energy calculation of fluids
#713 opened Aug 26, 2024 by jmarbues
1
Separate deform Functionality for Mechanical Calculations enhancement
#677 opened Jul 29, 2024 by Jonsnow-willow
1
How to output unwrap coordinates? enhancement
#663 opened Jul 1, 2024 by lujunfeng1
1
it would be better if GPUMD could consider constant potential. new feature
#655 opened Jun 25, 2024 by linger1234567
1
Possible BUG of enhance sampling perfomed by gpumd+plumed investigate
#619 opened May 10, 2024 by XIX-YANG
4
Output six stress tensors in the dump_exyz file enhancement
#551 opened Jan 26, 2024 by CM-hit
1
Cell info in netcdf output bug help wanted
#550 opened Jan 25, 2024 by bananenpampe
4
[feature request] deposit new feature
#529 opened Nov 14, 2023 by brucefan1983
Extend models to higher rank tensors new feature
#527 opened Nov 14, 2023 by erhart1
2
Suggestion: Header for thermo.out file enhancement
#473 opened Aug 15, 2023 by erhart1
2
Port GPUMD to HIP? new feature
#404 opened Apr 7, 2023 by Dankomaister
15
Feature requested: local order parameters new feature
#385 opened Feb 28, 2023 by ZKC19940412
5
adding charges to NEP new feature
#299 opened Nov 7, 2022 by brucefan1983
@brucefan1983
6
generalize dump_exyz and remove other dump commands enhancement
#257 opened Sep 3, 2022 by brucefan1983
@brucefan1983
23
ProTip! Exclude everything labeled bug with -label:bug.