mir-group/pair_allegro

Issues

• Calculating virial stress in lammps

  #42 opened 6 months ago by Tawfiq1448
  8

• LAMMPS-Allegro compile failed

  #52 opened 2 months ago by ChengQIAN93
  1

• "Non-numeric pressure" error (pressure = -nan) when attempting NPT in LAMMPS

  #53 opened 2 months ago by samueldyoung29ctr
  5

• allegro_pair style and empty partitions

  #45 opened 5 months ago by nec4
  7

• Exception: expected scalar type Double but found Float

  #48 opened 4 months ago by peterTHC
  3

• Segmentation Fault in LAMMPS Simulation with hybrid classical LJ and NequIP Potentials

  #51 opened 3 months ago by HasnainMSajid
  0

• LAMMPS-Allegro compile failed with pytorch 1.11.0 I build...

  #50 opened 3 months ago by turbosonics
  3

• Simulated annealing calculation error using pair-allegro

  #40 opened 4 months ago by walker9564
  0

• Error compiling pair_allegro with LAMMPS in google colab tutorial

  #49 opened 4 months ago by Khan-Jnu
  2

• RuntimeError: CUDA error: device-side assert triggered

  #39 opened 8 months ago by gvishwak-ornl
  2

• Problem compiling lammps with kokkos

  #34 opened a year ago by weixie4
  1

• Issue of running NEB with mpirun

  #33 opened a year ago by WJiangH
  6

• Any plan of updates for newer LAMMPS?

  #30 opened a year ago by Chenghao-Wu
  2

• Some problems encountered when using multiple GPUs

  #28 opened a year ago by Masker-Li
  8

• Request for Raw Benchmark Data from Paper

  #27 opened a year ago by yueyericardo
  0

• Virial and Lammps interface

  #9 opened 2 years ago by Huni-ML
  14

• Mix Allegro and LJ type pair styles

  #24 opened a year ago by tgmaxson
  5

• Using pair_allegro without stress on the newest version of LAMMPS

  #21 opened 2 years ago by ryandeng1
  2

• More trouble in LAMMPS compilation due to "LAMMPS_NS"

  #19 opened 2 years ago by hzone3898
  5

• Problems parallelizing across more than 1 GPU

  #18 opened 2 years ago by mhsiron
  11

• 🐛 [BUG] Compilation of pair_allegro fails with `is protected within this context`

  #17 opened 2 years ago by nicephore-bonnet
  2

• Error with the new pair_allegro-stress branch

  #12 opened 2 years ago by nukenadal
  14

• [QUESTION] Error while using potential in lammps.

  #6 opened 2 years ago by gshs12051
  3

• Running pair_allegro with Kokkos on multiple GPUs

  #11 opened 2 years ago by ryandeng1
  1

• Configuring LAMMPS with pair_allegro

  #8 opened 2 years ago by apoletayev
  2

• Error during final linking step for LAMMPS

  #7 opened 2 years ago by timloose
  3

• [QUESTION] Error while using potential in lammps.

  #5 opened 2 years ago by gshs12051
  3

• Issue with multiple species system

  #4 opened 2 years ago by PythonFZ
  3

• Issue while Linking CXX executable lmp

  #3 opened 2 years ago by PythonFZ
  2

• Trouble compiling lammps with pair_allegro

  #1 opened 3 years ago by mkphuthi
  4