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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
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April 17, 2024
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Trouble with installing pylammps on Windows 10
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2
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55
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March 31, 2024
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Lmp.numpy.extract_fix() returns a sugle float when used with LMP_STYLE_GLOBAL and LMP_TYPE_ARRAY
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6
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95
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March 20, 2024
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LAMMPS / Python / MatGL / CUDA - issues with NumPy
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2
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206
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January 17, 2024
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Coordinate tripod labels not rendering in OVITO Scripting
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4
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129
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December 28, 2023
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Issue with Accessing Thermo Data in Pylammps
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1
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139
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December 4, 2023
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Non-Equivalent T-Sites from a cif file
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0
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112
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December 1, 2023
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Parallelization of running LAMMPS from Python
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2
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205
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November 1, 2023
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Install python lammps in a non-standard directory
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6
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223
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October 24, 2023
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Error module 'numpy.linalg._umath_linalg' has no attribute '_ilp64'
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0
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1576
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October 19, 2023
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MSEVB using Python API
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22
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861
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May 3, 2023
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Wrapping LAMMPS in python on windows machine: Error 1
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7
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245
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July 27, 2023
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Error, 'MPDataDoc' object is not subscriptable',
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7
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830
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February 22, 2024
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[Solved] Error when computing relative displacement with Python frame offset
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1
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233
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June 14, 2023
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Energy becoming 'nan' in KMC diffusion in Inconel-Nickel alloy while using PyLAMMPS
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0
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209
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April 21, 2023
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Fine-tuning CHGNet with AIMD data
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3
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733
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April 18, 2023
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Accessing TimeAveragingModifier output of LAMMPS compute from ComputePropertyModifier in Python
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3
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242
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March 24, 2023
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Returning an array using the LAMMPS python+variable commands?
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2
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422
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March 7, 2023
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Running LAMMPS on GPU from python script
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1
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351
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March 2, 2023
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LAMMPS Hanging on write_data
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1
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434
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January 10, 2023
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Energy becoming 'nan' after 1000 iterations
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3
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414
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December 20, 2022
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Specifying coefficients for pair_style Python from the input file?
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1
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233
|
December 7, 2022
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Measuring distance with ASE
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1
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783
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December 4, 2022
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Python lammps.extract_fix and lammps_free
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2
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243
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November 28, 2022
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Python file not processed when calling from LAMMPS using specific packages
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1
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341
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November 18, 2022
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Getting unwrapped coordinates of each atom's position from PyLammps
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5
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783
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October 25, 2022
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Neb_final.py not reading dump files
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5
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488
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August 27, 2022
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Using python with LAMMPS. I am not able to import a module
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4
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611
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August 25, 2022
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LAMMPS python version
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5
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282
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August 23, 2022
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Potential fitting for radiation damage
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3
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396
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May 23, 2022
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