Discussions

• 1 You must be logged in to vote

  📣

  Using Tersoff (Intralayer) + LIP (Interlayer) Potentials for hBN/Graphene Bilayer in GPUMD

  Donghua-un announced May 8, 2025 in Announcements

  

  

  

  

  5
• 2 You must be logged in to vote

  📣

  GPUMD-v4.2

  brucefan1983 announced May 23, 2025 in Announcements

  

  

  0
• 1 You must be logged in to vote

  📣

  GPUMD-v4.2

  brucefan1983 announced May 23, 2025 in Announcements

  

  

  0
• 1 You must be logged in to vote

  📣

  GPUMD-v4.1

  brucefan1983 announced May 15, 2025 in Announcements

  

  

  0
• 1 You must be logged in to vote

  📣

  Using Lennard‑Jones and Tersoff Potentials Together in GPUMD

  Donghua-un announced May 6, 2025 in Announcements

  

  

  5
• 1 You must be logged in to vote

  🙏

  Implementation of other interatomic potentials

  jmarbues asked Jan 27, 2025 in Q&A · Unanswered

  

  

  

  

  12
• 1 You must be logged in to vote

  📣

  Error while running Example script on colab

  mayankaditya announced Apr 13, 2025 in Announcements

  

  

  8
• 1 You must be logged in to vote

  📣

  Feature request: Relative force error for active learning.

  Pdeedee announced Jan 6, 2025 in Announcements

  

  

  1
• 1 You must be logged in to vote

  📣

  CUDA error and dataset improvement

  Erica-98 announced Feb 23, 2025 in Announcements

  

  

  6
• 1 You must be logged in to vote

  💬

  D3 scaling.

  rebeltroopers started Jan 30, 2025 in General

  

  

  6
• 1 You must be logged in to vote

  🙏

  Thermal Conductivity Predictions from EMD

  bhu129 asked Jan 25, 2025 in Q&A · Answered

  

  

  2
• 1 You must be logged in to vote

  💬

  l_max values

  sahashemip started Jan 27, 2025 in General

  

  

  2
• 1 You must be logged in to vote

  🙏

  GPUMD interface with other machine learning potential

  rfhari asked Jan 17, 2025 in Q&A · Answered

  

  

  2
• 1 You must be logged in to vote

  💬

  Nep cutoff

  tomasfbouvier started Jan 15, 2025 in General

  

  

  2
• 1 You must be logged in to vote

  💬

  Simulating Twisted Bilayer Graphene (tBLG) with GPUMD: Issue with Combining Potentials

  akabli-younes started Nov 15, 2024 in General

  

  

  2
• 1 You must be logged in to vote

  🙏

  NEP Potential with other lattice dynamics packages

  rfhari asked Dec 23, 2024 in Q&A · Answered

  

  

  2
• 0 You must be logged in to vote

  🙏

  Questions on calculating the phonon participation ratio

  zjucm asked Dec 12, 2024 in Q&A · Unanswered

  

  

  0
• 0 You must be logged in to vote

  🙏

  Questions on the phonon participation ratio

  zjucm asked Dec 9, 2024 in Q&A · Closed · Unanswered

  

  

  0
• 1 You must be logged in to vote

  💬

  which version is single-precision computing

  university12138 started Nov 22, 2024 in General

  

  

  4
• 1 You must be logged in to vote

  🙏

  Local Order Parameter

  jmarbues asked Nov 13, 2024 in Q&A · Closed · Answered

  

  

  2
• 0 You must be logged in to vote

  🙏

  Question on chosing Hyperparameter

  zjucm asked Nov 13, 2024 in Q&A · Answered

  

  

  4
• 2 You must be logged in to vote

  🙏

  Unit question

  rebeltroopers asked Sep 22, 2024 in Q&A · Answered

  

  

  5
• 1 You must be logged in to vote

  💬

  specifying virtual atoms

  rfhari started Sep 19, 2024 in General

  

  

  1
• 1 You must be logged in to vote

  🙏

  elastic.out file

  jmarbues asked Oct 10, 2024 in Q&A · Closed · Answered

  

  

  1
• 1 You must be logged in to vote

  🙏

  compute_msd for multiple groups

  EsmeeBerger asked Oct 4, 2024 in Q&A · Unanswered

  

  

  2