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Calculate MSD in a particular region of a particular type atom
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1
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28
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April 18, 2024
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GPU accelerated LAMMPS running for a while then stop with Cuda driver error 4
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7
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62
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April 18, 2024
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Error in getting bandstructure by material id through pymatgen
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7
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451
|
April 18, 2024
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NEB calculating dislocation nucleation energy using LAMMPS
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0
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17
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April 18, 2024
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Fit energy
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1
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19
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April 17, 2024
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New LAMMPS Feature Release, 17 April 2024
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1
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58
|
April 17, 2024
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Polymer thin film friction
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2
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29
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April 17, 2024
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Fizzled firework cannot rerun
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5
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31
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April 17, 2024
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Cubes moving through the wall with body/rounded/polyhedron
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3
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52
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April 17, 2024
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Generating core/shell structure with different compositions
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0
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16
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April 17, 2024
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Core/shell structure construction in ASE
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5
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333
|
April 17, 2024
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EChemDID for lithium cobalt oxide (LiCoO2) cathode and a graphite anode
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2
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33
|
April 17, 2024
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"ERROR: Must not use GPU neighbor lists with hybrid pair style" when running lammps on GPU from Python
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2
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33
|
April 17, 2024
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Generating the same random chain
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3
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46
|
April 17, 2024
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How to choose the friction coefficient between two granular with different friction coefficients
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4
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78
|
April 17, 2024
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About convert elastic tensor to IEEE-standard
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0
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20
|
April 17, 2024
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Invalid atom type in fix deposit mol command
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2
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25
|
April 17, 2024
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Building the sphere filled with Al2O3
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7
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53
|
April 17, 2024
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GCMC with Electrode
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5
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86
|
April 17, 2024
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Modification Request of MgInPd2 and MgGaPd2 in Materials Explorer
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0
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23
|
April 17, 2024
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Coarse-grained simulation in lammps
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7
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79
|
April 17, 2024
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Errors encountered in the pyrolysis of organic polymers under ReaxFF force field
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3
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52
|
April 17, 2024
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Dynamic wall with varied radius
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4
|
33
|
April 16, 2024
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Lammps error: mpirun noticed that process rank 33 with PID 257480 on node c469 exited on signal 11
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4
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75
|
April 16, 2024
|
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Failure to utilize GPUs at NERSC
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19
|
113
|
April 16, 2024
|
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Keyerror in EspressoProfile
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3
|
51
|
April 16, 2024
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Timestep error in ver 3.10.4
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8
|
42
|
April 16, 2024
|
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Modeling Cubes with body/rounded/polyhedron produces Segmentation fault
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22
|
627
|
April 16, 2024
|
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Changing the temperature of the system using a user defined temperature function
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3
|
105
|
April 16, 2024
|
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ERROR: KSpace style does not support compute centroid/stress/atom (src/compute_centroid_stress_atom.cpp:195)
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3
|
47
|
April 16, 2024
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