|
Problem with neb
|
|
5
|
40
|
March 18, 2026
|
|
Access eatom on device
|
|
8
|
61
|
March 18, 2026
|
|
Awkward behavior of two overlapped particle with pure negative gaussian attraction at the center (barrier exists)
|
|
10
|
41
|
March 17, 2026
|
|
Inquiry regarding GPU acceleration for Spin-Lattice Dynamics (SLD) with MLIAPs
|
|
6
|
58
|
March 17, 2026
|
|
Any way to access the run_stats of a task?
|
|
1
|
15
|
March 16, 2026
|
|
Lammps Potential file for Al-Mg-Zr-H
|
|
1
|
26
|
March 16, 2026
|
|
Invalid force field file format
|
|
4
|
917
|
March 13, 2026
|
|
Custom fix for bond orientation leads to center-of-mass drift in parallel runs
|
|
6
|
56
|
March 12, 2026
|
|
Energy becomes inf after read_dump
|
|
5
|
36
|
March 12, 2026
|
|
for parse of molden file
|
|
0
|
14
|
March 12, 2026
|
|
Nomad uploads very slow, get stuck, and keep failing
|
|
3
|
45
|
March 11, 2026
|
|
Thermo every variable returned a bad timestep
|
|
4
|
36
|
March 11, 2026
|
|
Write_data records the atoms incorrectly
|
|
3
|
43
|
March 11, 2026
|
|
LAMMPS-GUI version 1.11.2 released
|
|
2
|
93
|
March 29, 2026
|
|
Initial model of particles of different sizes
|
|
4
|
33
|
March 10, 2026
|
|
MPRestError: URI too long
|
|
5
|
30
|
March 9, 2026
|
|
ERROR: Illegal pair_style command (src/MANYBODY/pair_eam.cpp:362)
|
|
2
|
29
|
March 9, 2026
|
|
How to upload custom kinetic Monte Carlo simulation data to NOMAD (no built-in parser)?
|
|
2
|
37
|
March 9, 2026
|
|
SWM4-NDP water model files for LAMMPS/Drude MD (.ff/.zmat/.xyz format)
|
|
4
|
46
|
March 9, 2026
|
|
How does fix bond/react handle multiple possible reaction partners for the same atom?
|
|
2
|
50
|
March 8, 2026
|
|
The correctness of my potential function training and the abnormal temperature and energy during the NEMD simulation
|
|
14
|
73
|
March 8, 2026
|
|
Repeatedly Applying the Apply Function to the Same Data Collection
|
|
2
|
30
|
March 8, 2026
|
|
Looking for feedback on new LAMMPS-GUI features (again)
|
|
2
|
57
|
March 8, 2026
|
|
Request for COMB3 Al–O Potential File (Choudhary et al., 2015
|
|
3
|
51
|
March 7, 2026
|
|
Disabling automatic download of the KIM-API
|
|
2
|
27
|
March 7, 2026
|
|
Adding binary observer afterwards
|
|
9
|
99
|
March 6, 2026
|
|
Adding text and images to a LAMMPS visualization
|
|
0
|
64
|
March 6, 2026
|
|
How can we encourage (more) people to use the forum?
|
|
22
|
278
|
March 5, 2026
|
|
ExchangeWF / Heisenberg exchange workflow in atomate2 — is a port planned?
|
|
1
|
31
|
March 5, 2026
|
|
Neigh_modify exclude dynamically
|
|
4
|
92
|
March 5, 2026
|