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Load Balancing with Partitions on GPUs
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5
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872
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December 21, 2024
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Changes of output parameters did not come to dump file
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2
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51
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December 20, 2024
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Compute group/group
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8
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38
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December 20, 2024
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How to use MPI in fix external
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3
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24
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December 20, 2024
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Problems encountered when installing LAMMPS on Linux system
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1
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15
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December 20, 2024
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Some questions about ttm/mod
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5
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341
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December 18, 2024
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How to average the bond/local values in each chunk?
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6
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19
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December 18, 2024
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How to import rigid body cad files?
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4
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54
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December 17, 2024
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How to compute the rate of change of a global scalar in LAMMPS?
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13
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36
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December 15, 2024
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Colvars stops dumping after ~2^31 steps
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7
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50
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December 14, 2024
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Thermo Output Missing Line Breaks in LAMMPS Log File
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13
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94
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December 14, 2024
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Energies from previous run do not match while using restart files
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4
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31
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December 13, 2024
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Dynamically Updating Fix Coefficient During Simulation
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4
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40
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December 13, 2024
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Parallel simulation
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5
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70
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December 12, 2024
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The contents of the files in the 'examples' directory are different from the 'README'
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2
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20
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December 12, 2024
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Problems encountered when using eABF method to calculate PMF in colvars module of LAMMPS
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2
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31
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December 12, 2024
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Fail to run lammps by GPU with kokkos
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1
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25
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December 11, 2024
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Ambertools conversion script progress
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2
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34
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December 10, 2024
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Lammps fix cha/reg with LJ units give unexpected number of ions
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3
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12
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December 10, 2024
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Lammps Beginner energy minimization issue
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5
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83
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December 9, 2024
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How to correctly set the group-ID in the fix orient/fcc command for an alloy with four elements
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0
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19
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December 7, 2024
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How to calculate the work done by pressure
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2
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29
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December 6, 2024
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The reaction between ozone and water in the REAXFF force field
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8
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61
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December 6, 2024
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`AssertionError` in `LAMMPSlib` with ASE during Potential Energy Calculation
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0
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8
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December 6, 2024
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Error using the lammpsrun calculator in the Python ASE module
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6
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17
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December 5, 2024
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Regarding the issue of using the Colvars module
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7
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78
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December 5, 2024
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Out of range atoms error by doing rerun
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0
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5
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December 4, 2024
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Lammps on Slurm different results for different tasks per node
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1
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20
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December 4, 2024
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NEMD simulation by Langevin thermostat
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2
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27
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December 4, 2024
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How to change the type of atoms?
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3
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36
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December 3, 2024
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