|
Missing opls-aa parameters
|
|
3
|
41
|
September 20, 2025
|
|
Problem with importing a large number of molecule templates - DOF<0
|
|
2
|
32
|
September 8, 2025
|
|
Unexpected Error on "Impossible to match point correlations"
|
|
2
|
12
|
September 5, 2025
|
|
Fix print command acting weird
|
|
17
|
51
|
September 4, 2025
|
|
Lammps rerun failed with read_dump error
|
|
3
|
39
|
September 1, 2025
|
|
Inpot file for NH3 molecular crystal in exciting
|
|
3
|
38
|
August 12, 2025
|
|
Lost atoms: original 42592 current 41916 (src/thermo.cpp:488)
|
|
5
|
91
|
August 12, 2025
|
|
Disappearance of Energy Corrections for mp‑1100405 (ScTeRh) under GGA/GGA+U
|
|
4
|
38
|
August 11, 2025
|
|
LAMMPS Kokkos GPU: cudaErrorIllegalAddress during neighbor build (NBinKokkos::bin_atoms)
|
|
3
|
51
|
August 11, 2025
|
|
Add TIP4P water molecules by “read_data” and “create_atoms"
|
|
3
|
53
|
August 9, 2025
|
|
ERROR on proc 3: Bond atoms 1888 1943 missing on proc 3 at step 3486 (src/ntopo_bond_all.cpp:61)
|
|
5
|
57
|
August 4, 2025
|
|
Restarting calculation with MACE forcefields
|
|
6
|
56
|
August 4, 2025
|
|
Splining pair_style MEAM with ZBL Potential using hybrid/overlay
|
|
6
|
899
|
July 29, 2025
|
|
Mp-api robocrys keyword search misses materials
|
|
3
|
61
|
July 25, 2025
|
|
High Wall Time
|
|
1
|
17
|
July 17, 2025
|
|
An error was reported in the gas hydrate simulation
|
|
6
|
52
|
July 16, 2025
|
|
Unexpected Shear Stress Drop After Restarting a Granular Simulation
|
|
1
|
30
|
July 15, 2025
|
|
RuntimeError: Calculations were not performed using the same k-point mesh (3, 3, 3) != (3, 3, 1)
|
|
2
|
363
|
July 9, 2025
|
|
LAMMPS combined GPU: ERROR on proc 1: Neighbor list problem on the GPU
|
|
5
|
34
|
July 8, 2025
|
|
LAMMPS Reading Unrealistically Large Atom Count from Atomsk-Generated File
|
|
3
|
43
|
July 7, 2025
|
|
Lammps doesn't print detail detail error without mpirun
|
|
1
|
29
|
June 23, 2025
|
|
Structure crashing in LAMMPS with SNAP potentials
|
|
2
|
44
|
June 20, 2025
|
|
Incident Particle gaining energy
|
|
11
|
28
|
June 19, 2025
|
|
Validation error importing MPRester, maybe to do with EmmetSettings
|
|
5
|
33
|
June 20, 2025
|
|
Issue with time after restart
|
|
2
|
17
|
June 18, 2025
|
|
Cuda driver error 700 in call at file 'geryon/nvd_memory.h' in line 502: Error when using pair_style hybrid/overlay and GPU
|
|
1
|
48
|
June 18, 2025
|
|
Help with ERROR: Lost atoms in LAMMPS?
|
|
4
|
1243
|
June 15, 2025
|
|
Discrepancy Between API and Website for Stable Structures (e.g., Ag Metal)
|
|
5
|
22
|
June 11, 2025
|
|
Atom lost across periodic boundary despite low speed
|
|
0
|
21
|
June 6, 2025
|
|
Problem in deleting overlapping polymer atoms and their entire chains using delete_atoms overlap in LAMMPS
|
|
3
|
35
|
May 24, 2025
|