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Understanding the deformation potential values when SOC is included in the calculation
|
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0
|
322
|
October 2, 2023
|
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Fix Spring with unlimited atom groups/chunks, tethering to specific points
|
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10
|
692
|
October 2, 2023
|
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Problems in fix rigid: Bad principal moments
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3
|
258
|
October 2, 2023
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Visualization software
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1
|
179
|
October 2, 2023
|
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Building a Pourbaix Diagram manually: (Error) Reference solid not contained in entry list
|
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1
|
326
|
October 2, 2023
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Out of range atoms - atomistic polymer system with hydrogens - GPU
|
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3
|
320
|
October 1, 2023
|
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How to use two dat files together?
|
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5
|
232
|
October 1, 2023
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New installation of ovito basic launches ovito pro and asks for license key
|
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5
|
650
|
October 1, 2023
|
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Erorr run ovito in ubuntu 22.04
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1
|
553
|
September 30, 2023
|
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How to convert elastic constants calculated from primitive cell to conventional cell?
|
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2
|
211
|
September 30, 2023
|
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ERROR: Out of range basis setting in create_atoms command
|
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4
|
284
|
September 30, 2023
|
|
Uploading custom results using directly the *.archive.json files
|
|
13
|
588
|
September 30, 2023
|
|
Compute temp for rigid bodies and non-rigid particles
|
|
0
|
182
|
September 29, 2023
|
|
XRD database from materials project?
|
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5
|
716
|
February 22, 2024
|
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Download DOS of a large number of elements from Material Project
|
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5
|
531
|
February 22, 2024
|
|
Specify coordinates of processor grid?
|
|
3
|
177
|
September 29, 2023
|
|
Materials information mismatch between the website and query from the pymatgen MPRester
|
|
2
|
254
|
February 22, 2024
|
|
Embedding CNT on metal slab in LAMMPS
|
|
4
|
355
|
September 29, 2023
|
|
Calculating dipole of different molecules separately
|
|
1
|
156
|
September 29, 2023
|
|
Add force to only one ion in an ion group
|
|
13
|
455
|
September 29, 2023
|
|
Magnetic simulation
|
|
3
|
249
|
September 29, 2023
|
|
Generation .data files with charges using OVITO
|
|
6
|
525
|
September 29, 2023
|
|
Spring constant value
|
|
7
|
265
|
September 29, 2023
|
|
Reproduction of published interatomic potentials
|
|
1
|
194
|
September 29, 2023
|
|
Grouping atoms across restarts
|
|
3
|
331
|
September 28, 2023
|
|
Adsorbed ions
|
|
1
|
160
|
September 28, 2023
|
|
How to use only one interaction from an EAM alloy force filed file
|
|
4
|
238
|
September 28, 2023
|
|
Substitution
|
|
3
|
286
|
September 28, 2023
|
|
Building LAMMPS with GPU single precision support on v100 nodes
|
|
1
|
341
|
September 28, 2023
|
|
StructureMatcher function in pymatgen
|
|
0
|
213
|
September 28, 2023
|