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Wrong indexing in "Data Angles" of moltemplate
|
|
3
|
102
|
May 9, 2024
|
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Temperature does not rise with fix nvt
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1
|
56
|
May 9, 2024
|
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Modelling defective 2D graphene and hBN
|
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0
|
67
|
May 8, 2024
|
|
Cannot extract quaternions with python
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2
|
59
|
May 8, 2024
|
|
Error kspace
|
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1
|
53
|
May 8, 2024
|
|
Error when run with the example Using atomate2 with FireWorks
|
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0
|
34
|
May 8, 2024
|
|
Handling Fractional Occupancy in CIF to POSCAR Conversion
|
|
2
|
88
|
May 8, 2024
|
|
Lammps+quip package
|
|
1
|
50
|
May 8, 2024
|
|
Error when invoking FHI-aims
|
|
2
|
58
|
May 7, 2024
|
|
Pair distance > table outer cutoff for Hertzian-cut potential
|
|
6
|
121
|
May 7, 2024
|
|
Force along end-to-end vector
|
|
3
|
44
|
May 7, 2024
|
|
Loading ACE Potential in ASE
|
|
1
|
60
|
May 7, 2024
|
|
Is there some functions available in lammps to create and maintain a bubble within the water box?
|
|
1
|
46
|
May 7, 2024
|
|
Using Voronoi analysis for particle neighbor analysis
|
|
3
|
235
|
May 6, 2024
|
|
Dopant defect issue
|
|
0
|
42
|
May 6, 2024
|
|
KLIFF and GULP
|
|
13
|
142
|
May 6, 2024
|
|
Multiple KIM installations or cannot find libkim-api.so
|
|
1
|
57
|
May 6, 2024
|
|
Bond atom missing in box size check
|
|
6
|
133
|
May 5, 2024
|
|
Errors on different section titles when making data file in GUI
|
|
2
|
73
|
May 5, 2024
|
|
How to determine whether unreasonable force field or structure leads to bond atoms missing
|
|
2
|
88
|
May 5, 2024
|
|
Discrepancies in Energy Calculation Using 'mix arithmetic' in LAMMPS Simulation
|
|
2
|
89
|
May 4, 2024
|
|
Lammps parallel computing: Speed Up problem when exceeding 16 Cores (32 Threads)
|
|
11
|
177
|
May 4, 2024
|
|
Updating potential in pair_style harmonic/cut and linesearch alpha is zero during minimisation
|
|
0
|
58
|
May 4, 2024
|
|
Airebo with meam & lj/cut in hybrid pair style
|
|
8
|
107
|
May 3, 2024
|
|
Using insight2lammps for PCFF
|
|
2
|
83
|
May 3, 2024
|
|
Error with streitz and eam/alloy potential in hybrid style
|
|
7
|
130
|
May 3, 2024
|
|
Voronoi liquid (Voronoi-derived force) in LAMMPS
|
|
1
|
65
|
May 3, 2024
|
|
Making bulk semicrystalline structure
|
|
4
|
363
|
May 3, 2024
|
|
Terminating cluster error
|
|
3
|
187
|
May 3, 2024
|
|
Water-box is not passing completely from membrane
|
|
0
|
45
|
May 3, 2024
|