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Increasing LAMMPs performance for small number of atoms
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2
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62
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May 22, 2026
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"strategies to relax local energy spikes during dynamic topology changes"
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3
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53
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May 1, 2026
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GCMD Simulation Dilemma at High Pressure (10-30 atm): MAXENERGYTEST Stalls (PPPM/DSF) vs. Severe Jamming (Cutoff)
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2
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54
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April 29, 2026
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Manually setting simulation parameters after loading a data file leads to molecules not interacting
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3
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45
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April 22, 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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60
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April 21, 2026
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How to print string literal as a thermo column?
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2
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75
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March 28, 2026
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Lennard-Jones energy
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2
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58
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March 26, 2026
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Write_data records the atoms incorrectly
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3
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61
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March 11, 2026
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Neigh_modify exclude dynamically
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4
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107
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March 5, 2026
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Pressure nan and E_pair inf
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2
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55
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February 26, 2026
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Atom selection around specific atoms
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2
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58
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February 24, 2026
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Illegal fix bond/create command
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2
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43
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February 23, 2026
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Which KSpace style is compatible with pair_style lj/charmm/coul/charmm?
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16
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225
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February 12, 2026
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All pair coeffs are not set.
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1
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75
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January 28, 2026
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Not a valid floating-point number REAXFF?
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3
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570
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January 28, 2026
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Problem with lattice and create_atoms
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5
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80
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January 26, 2026
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Different temperature/pressure behavior in small vs. large F-diamane systems using ReaxFF
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16
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316
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January 23, 2026
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Best way to model core-shell polymer nanoparticles
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14
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241
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January 15, 2026
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TIP4P simulation error
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1
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57
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January 14, 2026
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Need help to build nano scratching script
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3
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114
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December 28, 2025
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Segmentation fault in FFTW (fftw_plan_awake) during PPPM deallocation after run / during write_data init (macOS, MPI)
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5
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106
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December 26, 2025
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Ring Polymer tangential Force calculation
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1
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57
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December 17, 2025
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How to model O₂ with a COM dummy charge site (TIP4P-like) in LAMMPS?
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2
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67
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December 12, 2025
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Problem with replicate command
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2
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86
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December 11, 2025
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LAMMPS + Mace
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4
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275
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December 11, 2025
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ERROR on proc 29: Bond atoms 56578 59390 missing on proc 29 at step 35369
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7
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118
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December 11, 2025
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How to simulate friction Coefficient and Wear of High Entropy Alloys Nitride?
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1
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60
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December 10, 2025
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Simulate the friction interaction of ptfe
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2
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497
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December 10, 2025
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MD Simulation of 2D polymers. Ok with a "small" molecule, crash with a larger one. Suggestions greatly appreciated
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26
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870
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December 10, 2025
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unstable and lost atoms in
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1
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40
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December 4, 2025
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