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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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3
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10
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December 25, 2025
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Ring Polymer tangential Force calculation
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1
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16
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December 17, 2025
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Different temperature/pressure behavior in small vs. large F-diamane systems using ReaxFF
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13
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159
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December 16, 2025
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Best way to model core-shell polymer nanoparticles
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2
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28
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December 13, 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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31
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December 12, 2025
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Problem with replicate command
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2
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35
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December 11, 2025
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LAMMPS + Mace
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4
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39
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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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51
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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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26
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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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460
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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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710
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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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21
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December 4, 2025
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Modifiying Cr element composition from a slab data
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3
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44
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November 24, 2025
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Si irradiation - Simulation runs but no Implantation and Vacancy profile on output
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1
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33
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November 22, 2025
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Insert the atom at the coordinate point
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1
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31
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November 20, 2025
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Lammps variable parsing
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7
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80
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November 19, 2025
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Definition for DAT
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4
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183
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November 18, 2025
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The problem with sputtering
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6
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97
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November 15, 2025
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Equilibration or relaxation of HEA
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3
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39
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November 15, 2025
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Applying Constant Shear Stress to Dislocation Using Lammps
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10
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1341
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November 5, 2025
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WARNING: force values in table are inconsistent with -dE/dr
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3
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50
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November 4, 2025
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Confusing behaviour with Compute FEP command
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0
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33
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November 4, 2025
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Achieving same density with different quench rates for amorphous silica (Vashishta potential)
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2
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48
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November 3, 2025
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Exit the simulation box
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6
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71
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October 29, 2025
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Warning of system not charge neutral with TIP4P potential
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4
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284
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October 28, 2025
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Confusion about the special bonds of LAMMPS
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1
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84
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October 24, 2025
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Which KSpace style is compatible with pair_style lj/charmm/coul/charmm?
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12
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90
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October 24, 2025
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Calculation of pulling energy (spring) in lammps
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23
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1100
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October 22, 2025
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Molecular center-of-mass drift in TIP5P supercooled water simulations
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2
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48
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October 16, 2025
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Lammps gpu acceleration
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2
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62
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October 13, 2025
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