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Incomplete rerun on the snatshop
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1
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152
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October 16, 2023
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Unit of gtol ftol xtol
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1
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217
|
October 16, 2023
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Neighbor list access in each timestep via Python?
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7
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279
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October 15, 2023
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FireWorks_errors_No such file or directory: 'vasp'
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4
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349
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October 14, 2023
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Problem when change the dipole in the pair style
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4
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208
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October 13, 2023
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PCFF vs PCFF_ore files
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2
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379
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October 13, 2023
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Issue with running app container (NOMAD oasis)
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2
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521
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October 13, 2023
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Error while running NEB simulation for RIGID body simulation
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1
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214
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October 13, 2023
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My api_key doesn't work
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1
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272
|
October 13, 2023
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How to use the peridynamics module and molecular dynamics in LAMMPS for multiscale coupling
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1
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197
|
October 13, 2023
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Pair distribution functions
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1
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196
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October 13, 2023
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The ID order of returned values on extract_compute() in Python-lammps interface [lammps()]
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3
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846
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October 12, 2023
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Visualizing Pymatgen Trajectory object
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1
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193
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October 12, 2023
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EwaldMinimizer is very slow / doesn't return anything when used for anion-substituted structure
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0
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231
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October 12, 2023
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Compiling LAMMPS with Kokkos
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7
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2314
|
October 12, 2023
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How to calculate forces only for one atom type, during a NVE simulation?
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4
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171
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October 12, 2023
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Deposit atom
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1
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191
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October 12, 2023
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Type of symmetrical boundary condition
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6
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219
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October 12, 2023
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ERROR: Lost atoms: original 1500 current 1495 (src/thermo.cpp:488)
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8
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496
|
October 12, 2023
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ERROR on proc 0: Bond atoms 5863 5868 missing on proc 0 at step 29682761 (../ntopo_bond_all.cpp:60)
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0
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213
|
October 12, 2023
|
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Kernel die while importing MPRester on M2 - Pro
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5
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262
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February 23, 2024
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Molecule-molecule pair potentials including the internal atomic structure of the molecule
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1
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162
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October 12, 2023
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What potentia is used to describe the interlayer interaction of angular TMD materials?
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4
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413
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October 12, 2023
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How to read DYNAMO setfl format file for EAM potential
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1
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293
|
October 11, 2023
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How to have a fixed box length in the x and y direction when running npt simulation
|
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8
|
536
|
October 11, 2023
|
|
Changing the LAMMPS source code for applying electric field
|
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9
|
970
|
October 11, 2023
|
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Stress tensor output for explicit volume dependent potentials
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1
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197
|
October 11, 2023
|
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How can I generate a phase diagram by my entries and pymatgen entries together using mp_api?
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3
|
798
|
February 23, 2024
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Calculate bond energy in reaxff using compute pair reax/c
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2
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292
|
October 11, 2023
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Brownian Dynamics in oscilatory shear
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2
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303
|
October 11, 2023
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