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Interatomic Potentials for LAMMPS Simulations
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1
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60
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October 2, 2026
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Restart file problem
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2
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75
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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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141
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July 27, 2026
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LAMMPS-GUI slideshow not creating movies
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7
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103
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July 20, 2026
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Compute ke vs "direct" dump file calculation
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2
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53
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July 15, 2026
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Achieving same density with different quench rates for amorphous silica (Vashishta potential)
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4
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223
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July 15, 2026
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Clay layer disintegration (explosion) during water relaxation in Montmorillonite using CLAYFF
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3
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98
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June 6, 2026
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Trouble running python function from lammps
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2
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75
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June 2, 2026
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Increasing LAMMPs performance for small number of atoms
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2
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129
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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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97
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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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99
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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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95
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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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109
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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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112
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March 28, 2026
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Lennard-Jones energy
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2
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107
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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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91
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March 11, 2026
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Neigh_modify exclude dynamically
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4
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128
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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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91
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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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87
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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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77
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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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318
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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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105
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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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601
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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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138
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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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460
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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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397
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January 15, 2026
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TIP4P simulation error
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1
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77
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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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160
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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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152
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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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97
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December 17, 2025
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