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Kokkos pair_style hybrid MEAM error
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2
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39
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November 21, 2025
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An error occurred during the compilation of LAMMPS：ld returned 1 exit status
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2
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25
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November 20, 2025
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Multipole settings missing error in LAMMPS when using the AMOEBA force field
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0
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23
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November 18, 2025
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Moltemplate: ModuleNotFoundError: No module named 'moltemplate'
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4
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516
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November 8, 2025
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MPRester import error
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5
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38
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November 3, 2025
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Confusing behaviour with Compute FEP command
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0
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26
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November 4, 2025
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Trying the first steps with MP's API guide.
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1
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29
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October 31, 2025
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Compute fep pair style mliap param scale not supported
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3
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46
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October 27, 2025
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Error in Structure (mp-1271128)
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1
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18
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October 14, 2025
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Removing ERROR on proc 0: Non-numeric atom coords - simulation unstable error
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6
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55
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October 7, 2025
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Invalid lattice parameters vs reported symmetry
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1
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26
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October 2, 2025
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Unable to get Lammps to include MOLFILE package in installation
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9
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44
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September 29, 2025
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Read_dump unwrapped coordinates
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3
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38
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September 23, 2025
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Missing opls-aa parameters
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3
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82
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September 20, 2025
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Problem with importing a large number of molecule templates - DOF<0
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2
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36
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September 8, 2025
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Unexpected Error on "Impossible to match point correlations"
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2
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24
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September 5, 2025
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Fix print command acting weird
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17
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61
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September 4, 2025
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Lammps rerun failed with read_dump error
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3
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53
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September 1, 2025
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Inpot file for NH3 molecular crystal in exciting
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3
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48
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August 12, 2025
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Lost atoms: original 42592 current 41916 (src/thermo.cpp:488)
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5
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107
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August 12, 2025
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Disappearance of Energy Corrections for mp‑1100405 (ScTeRh) under GGA/GGA+U
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4
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46
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August 11, 2025
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LAMMPS Kokkos GPU: cudaErrorIllegalAddress during neighbor build (NBinKokkos::bin_atoms)
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3
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61
|
August 11, 2025
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Add TIP4P water molecules by “read_data” and “create_atoms"
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3
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65
|
August 9, 2025
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ERROR on proc 3: Bond atoms 1888 1943 missing on proc 3 at step 3486 (src/ntopo_bond_all.cpp:61)
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5
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63
|
August 4, 2025
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Restarting calculation with MACE forcefields
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6
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76
|
August 4, 2025
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Splining pair_style MEAM with ZBL Potential using hybrid/overlay
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6
|
908
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July 29, 2025
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Mp-api robocrys keyword search misses materials
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3
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69
|
July 25, 2025
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High Wall Time
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1
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21
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July 17, 2025
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An error was reported in the gas hydrate simulation
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6
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59
|
July 16, 2025
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Unexpected Shear Stress Drop After Restarting a Granular Simulation
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1
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31
|
July 15, 2025
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