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Unexpected behavior while simulating the Temperature vs Density curve of Nitrogen gas
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19
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41
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March 26, 2025
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Error using REAXFF with lj/cut/tip4p/long in pair style hybrid
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1
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16
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March 21, 2025
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Atoms lost during NVE run of 2D Ice slab
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2
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27
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March 20, 2025
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ValueError: unconverted data remains: .post
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2
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27
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March 19, 2025
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Python module segmentation fault
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7
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35
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March 19, 2025
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ERROR: Lost atoms
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1
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28
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March 19, 2025
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MACROSCOPIC STATIC DIELECTRIC TENSOR
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0
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9
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March 17, 2025
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Uncontrolled increase in kinetic energy in the PKA simulation
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6
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39
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March 14, 2025
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Group dynamic and recenter
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5
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38
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March 13, 2025
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ValueError: Rotation matrix is not valid
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0
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13
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March 12, 2025
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MPRestError: HTTPSConnectionPool(host='api.materialsproject.org', port=443)
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4
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26
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March 12, 2025
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Regions NOT forming single region in region union command
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16
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701
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March 11, 2025
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Why does my LAMMPS script fail with 'Illegal variable command
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1
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34
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March 10, 2025
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How to deal with the time out in retrieving data from MP molecules
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1
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17
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March 7, 2025
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No variations in mobility - AMSET 2D materials
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7
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59
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March 1, 2025
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Issue with db_version Parsing in Materials Project API
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2
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117
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March 1, 2025
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Application aborted error
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3
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21
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March 1, 2025
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No basis atoms in lattice
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2
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17
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March 1, 2025
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Inquiry Regarding "Dangerous Builds" in Neighbor List Diagnostics
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8
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64
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February 27, 2025
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Hello, I am a beginner in API. When running the program on the example, I always encounter errors and connection failures. I have tried it once and it was successful. Is it because I have used it multiple times that it has been unable to run
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3
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29
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March 5, 2025
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Error message of the raaxff
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2
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23
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February 26, 2025
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Error From pair_hybrid
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1
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25
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February 23, 2025
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RuntimeError: Overlap calculator does not have the correct number of bands
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0
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14
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February 18, 2025
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Failed data upload: parsers/cp2k
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17
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382
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February 18, 2025
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Hybrid pair coefficient error Incorrect args for pair coefficients (…/pair_lj_cut.cpp:471)
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2
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18
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February 17, 2025
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Lammps with AMD Mi300x GPUs
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1
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30
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February 6, 2025
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LAMMPS can't read in bond information between atoms
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8
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73
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January 29, 2025
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Error: core/moves/core.c:84 MovesCoreEntryRealloc: Dmax realloc error
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11
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67
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January 27, 2025
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Simulation of Molecule Aggregation in a Vesicle Using LAMMPS
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7
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68
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January 28, 2025
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ERROR: Fix ehex kinetic energy rescaling too large
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2
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24
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January 27, 2025
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