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InverseAngleInit: Cutoff not reached for [c:c_1:o_1] in EMC 9.4.4 20260701
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3
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19
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August 14, 2026
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Help with loading .dcd trajectories
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3
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28
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August 12, 2026
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8 errors in the Reaxff source file of lammps-stable_22Jul2025_update4
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1
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46
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August 10, 2026
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Kokkos CUDA illegal memory access with pair_style hybrid/overlay, coul/long, and neighbor exclusions
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2
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32
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August 10, 2026
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Restart file problem
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2
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39
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August 5, 2026
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MP2020 anion correction dropped for mixed-anion compounds (oxynitrides)
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0
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33
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August 1, 2026
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Lost atoms during NVT heating of BKS silica (LAMMPS)
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7
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89
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July 27, 2026
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OVITO QRhiGles2 error
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1
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42
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July 14, 2026
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MnCl2 tetrahydrate (mp-24385) formula is wrong
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1
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20
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July 9, 2026
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Kokkos + 2080 GPU Runs out of Shared Memory with 3 Atomic Species
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5
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115
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July 2, 2026
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Too Large condition number due to charge-neutrality constraints
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2
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51
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July 1, 2026
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Structure.site_properties['magmom'] returns KeyError
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0
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28
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June 22, 2026
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Issue in Generating Pourbaix Diagram using mp-api
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3
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51
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June 22, 2026
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Phonon dispersion with Non-analytic corrections
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3
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56
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June 10, 2026
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Blocked IP: Cannot access support email or send DM
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1
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32
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June 10, 2026
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Kokkos cudaErrorIllegalAddress and DualView crash with fix wall/gran/kk
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2
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82
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May 20, 2026
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Question about reliable adsorption energies for Fe slab using PTBP (DFTB+)
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0
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24
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May 14, 2026
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error in conversion of cube to xsf file
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1
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33
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May 12, 2026
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When I perform NEMD calculations on MOS2, the temperature will fluctuate and a stable temperature gradient cannot be generated. How to solve this problem
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3
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70
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April 30, 2026
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Issue with DOI Not Searchable
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3
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29
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April 24, 2026
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Read_dump command has no or invalid attribute fields
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2
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50
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April 24, 2026
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Uploaded and published datasets not accessable
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4
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40
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April 23, 2026
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Unable to Access OpenKIM Website
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2
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61
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April 23, 2026
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ERROR on proc 96: Bond atoms 4437 4440 missing on proc 96 at step 6764478 (src/ntopo_bond_all.cpp:59)
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5
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85
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April 21, 2026
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Constructed Pourbaix Diagrams from MP API are not matching with Pourbaix Diagrams from Materials Projects' Website
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3
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54
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April 16, 2026
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Segmentation fault when running LAMMPS with NequIP and KOKKOS (GPU)
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2
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70
|
April 16, 2026
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Problems Encountered in Constant Load Tensile Simulation of Models Using the addforce Command When stretching the model using addforce, the calculated stress and strain values show significant abnormalities
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1
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33
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April 12, 2026
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Segmentation fault (11) Invalid permissions (2) Using multi GPUs with LAMMPS+MLIAP/MACE
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7
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155
|
April 9, 2026
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ERROR: Illegal pair_style command (src/MANYBODY/pair_eam.cpp:362)
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2
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68
|
March 9, 2026
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The correctness of my potential function training and the abnormal temperature and energy during the NEMD simulation
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14
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201
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March 8, 2026
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