Lammps+quip package
|
|
1
|
37
|
May 8, 2024
|
General gayberne potential questions (sigma)
|
|
1
|
65
|
May 7, 2024
|
Pair distance > table outer cutoff for Hertzian-cut potential
|
|
6
|
107
|
May 7, 2024
|
Force along end-to-end vector
|
|
3
|
39
|
May 7, 2024
|
Is there some functions available in lammps to create and maintain a bubble within the water box?
|
|
1
|
39
|
May 7, 2024
|
Bond atom missing in box size check
|
|
6
|
101
|
May 5, 2024
|
Errors on different section titles when making data file in GUI
|
|
2
|
61
|
May 5, 2024
|
How to determine whether unreasonable force field or structure leads to bond atoms missing
|
|
2
|
82
|
May 5, 2024
|
Discrepancies in Energy Calculation Using 'mix arithmetic' in LAMMPS Simulation
|
|
2
|
74
|
May 4, 2024
|
Lammps parallel computing: Speed Up problem when exceeding 16 Cores (32 Threads)
|
|
11
|
156
|
May 4, 2024
|
Updating potential in pair_style harmonic/cut and linesearch alpha is zero during minimisation
|
|
0
|
48
|
May 4, 2024
|
Airebo with meam & lj/cut in hybrid pair style
|
|
8
|
95
|
May 3, 2024
|
Error with streitz and eam/alloy potential in hybrid style
|
|
7
|
108
|
May 3, 2024
|
Voronoi liquid (Voronoi-derived force) in LAMMPS
|
|
1
|
54
|
May 3, 2024
|
Water-box is not passing completely from membrane
|
|
0
|
41
|
May 3, 2024
|
Electrodes splitting while doing NPT simulation
|
|
4
|
110
|
May 2, 2024
|
Electrode electrolyte simulation
|
|
0
|
49
|
May 2, 2024
|
Structure breaks down in the simulation with LAMMPS
|
|
4
|
106
|
May 1, 2024
|
Creating a potential profile from trajectory generated with ELECTRODE package
|
|
5
|
135
|
May 1, 2024
|
How to fix the error restrain atoms missing
|
|
3
|
51
|
May 1, 2024
|
Bond atom missing in image check (src/domain.cpp:799) and Bond atoms 5903 5904 missing on proc 0 at step 169250 (src/ntopo_bond_all.cpp:61)
|
|
1
|
61
|
May 1, 2024
|
Hybrid potential file for high entropy superalloy
|
|
1
|
47
|
May 1, 2024
|
MPI error
|
|
9
|
122
|
May 1, 2024
|
About fix nvt
|
|
2
|
68
|
May 1, 2024
|
Kokkos on GPU seems not compatible with atom_style full
|
|
7
|
88
|
April 30, 2024
|
Green-Kubo Simple Generic OpenSource Code/Software?
|
|
3
|
277
|
April 30, 2024
|
Pressure adjustment in gas adsorption
|
|
2
|
53
|
April 30, 2024
|
Calculation of contact angle
|
|
1
|
106
|
April 30, 2024
|
Significant differences in thermal conductivity between NEMD and RNEMD methods
|
|
0
|
61
|
April 29, 2024
|
For new learner
|
|
2
|
81
|
April 29, 2024
|