|
All pair coeffs are not set.
|
|
1
|
37
|
January 28, 2026
|
|
Not a valid floating-point number REAXFF?
|
|
3
|
540
|
January 28, 2026
|
|
Problem with lattice and create_atoms
|
|
5
|
33
|
January 26, 2026
|
|
Different temperature/pressure behavior in small vs. large F-diamane systems using ReaxFF
|
|
16
|
231
|
January 23, 2026
|
|
Best way to model core-shell polymer nanoparticles
|
|
14
|
111
|
January 15, 2026
|
|
TIP4P simulation error
|
|
1
|
30
|
January 14, 2026
|
|
Need help to build nano scratching script
|
|
3
|
75
|
December 28, 2025
|
|
Segmentation fault in FFTW (fftw_plan_awake) during PPPM deallocation after run / during write_data init (macOS, MPI)
|
|
5
|
64
|
December 26, 2025
|
|
Ring Polymer tangential Force calculation
|
|
1
|
30
|
December 17, 2025
|
|
How to model O₂ with a COM dummy charge site (TIP4P-like) in LAMMPS?
|
|
2
|
49
|
December 12, 2025
|
|
Problem with replicate command
|
|
2
|
61
|
December 11, 2025
|
|
LAMMPS + Mace
|
|
4
|
106
|
December 11, 2025
|
|
ERROR on proc 29: Bond atoms 56578 59390 missing on proc 29 at step 35369
|
|
7
|
81
|
December 11, 2025
|
|
How to simulate friction Coefficient and Wear of High Entropy Alloys Nitride?
|
|
1
|
39
|
December 10, 2025
|
|
Simulate the friction interaction of ptfe
|
|
2
|
471
|
December 10, 2025
|
|
MD Simulation of 2D polymers. Ok with a "small" molecule, crash with a larger one. Suggestions greatly appreciated
|
|
26
|
763
|
December 10, 2025
|
|
unstable and lost atoms in
|
|
1
|
29
|
December 4, 2025
|
|
Modifiying Cr element composition from a slab data
|
|
3
|
50
|
November 24, 2025
|
|
Si irradiation - Simulation runs but no Implantation and Vacancy profile on output
|
|
1
|
47
|
November 22, 2025
|
|
Insert the atom at the coordinate point
|
|
1
|
42
|
November 20, 2025
|
|
Lammps variable parsing
|
|
7
|
106
|
November 19, 2025
|
|
Definition for DAT
|
|
4
|
189
|
November 18, 2025
|
|
The problem with sputtering
|
|
6
|
126
|
November 15, 2025
|
|
Equilibration or relaxation of HEA
|
|
3
|
61
|
November 15, 2025
|
|
Applying Constant Shear Stress to Dislocation Using Lammps
|
|
10
|
1378
|
November 5, 2025
|
|
WARNING: force values in table are inconsistent with -dE/dr
|
|
3
|
71
|
November 4, 2025
|
|
Confusing behaviour with Compute FEP command
|
|
0
|
36
|
November 4, 2025
|
|
Achieving same density with different quench rates for amorphous silica (Vashishta potential)
|
|
2
|
69
|
November 3, 2025
|
|
Exit the simulation box
|
|
6
|
94
|
October 29, 2025
|
|
Warning of system not charge neutral with TIP4P potential
|
|
4
|
288
|
October 28, 2025
|