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Interatomic Potentials for LAMMPS Simulations
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1
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36
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October 2, 2026
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8 errors in the Reaxff source file of lammps-stable_22Jul2025_update4
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2
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96
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September 26, 2026
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InverseAngleInit: Cutoff not reached for [c:cp:cp]
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0
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23
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September 19, 2026
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MP2020 anion correction dropped for mixed-anion compounds (oxynitrides)
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2
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94
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September 2, 2026
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Is that any problem around this website today?
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2
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42
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September 1, 2026
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Cannot access any page of Materials Science Project
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2
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30
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September 1, 2026
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Why does the Lammps simulation not reach the end for a lower dumping frequency?
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1
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56
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August 19, 2026
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Kokkos CUDA illegal memory access with pair_style hybrid/overlay, coul/long, and neighbor exclusions
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3
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74
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August 18, 2026
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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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54
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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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48
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August 12, 2026
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Restart file problem
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2
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70
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August 5, 2026
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Lost atoms during NVT heating of BKS silica (LAMMPS)
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7
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123
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July 27, 2026
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OVITO QRhiGles2 error
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1
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60
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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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36
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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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162
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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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63
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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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42
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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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80
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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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78
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June 10, 2026
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Blocked IP: Cannot access support email or send DM
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2
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54
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September 8, 2026
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Kokkos cudaErrorIllegalAddress and DualView crash with fix wall/gran/kk
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2
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107
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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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37
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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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50
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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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81
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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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45
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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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72
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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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70
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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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88
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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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100
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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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72
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April 16, 2026
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