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Regarding the issue of using the Colvars module
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7
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61
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December 5, 2024
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Using COLVARS in LAMMPS to Restrain Rotation about Initial Orientation
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4
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20
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December 5, 2024
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Pressure control using non-interacting particles
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7
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31
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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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24
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December 3, 2024
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Applying Constant Shear Stress to Dislocation Using Lammps
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9
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921
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December 3, 2024
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Cell size changes during the stress relaxation process after strain
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2
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13
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December 3, 2024
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Temperature of nitrogen is approaching zero when using a thermostat
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3
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28
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December 3, 2024
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The movement of ions in aqueous solution
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3
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27
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December 3, 2024
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Fourier dihedral question
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2
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198
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December 2, 2024
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Quantum_espresso_CPMD (or by LAMMPS)
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1
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24
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November 30, 2024
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Forgot to add etotal to my dump file
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2
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19
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November 29, 2024
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How to differentiate atoms of the same element in a supercell efficiently in Lammps data file?
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4
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14
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November 29, 2024
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Rmsd calculation at localized region
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1
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35
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November 28, 2024
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Crystalline structure FCC percentage
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1
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23
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November 28, 2024
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Setting the mass of an atom with an EAM pair style
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4
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15
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November 27, 2024
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Thermal conductivity calculation
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7
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67
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November 27, 2024
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Running LAMMPSERROR: Invalid fix ave/time argument
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2
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32
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November 27, 2024
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ERROR: Invalid fix ave/time argument
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2
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14
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November 27, 2024
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"Non-numeric atom coords - simulation unstable" error
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6
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49
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November 27, 2024
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Error in NPT equilibration (NAN density) after NVT
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1
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13
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November 26, 2024
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Creating Custom pair_style, bond_style, fix_style etc
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3
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18
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November 26, 2024
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What is the form of potential in fix drag
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1
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11
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November 26, 2024
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How to calculate the stacking fault energy of pure Aluminum and aluminum alloys
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0
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12
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November 25, 2024
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ERROR:LAMMPS provides no message, while the supercomputer reports a segmentation fault.
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5
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25
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November 24, 2024
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Losing atoms error
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3
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48
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November 22, 2024
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LAMMPS Input Error
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7
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99
|
November 20, 2024
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ERROR: Number of element to type mappings does not match number of atom types (src/MANYBODY/pair_eam_alloy.cpp:50)
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2
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25
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November 20, 2024
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ERROR: Variable indensity: Invalid thermo keyword 'freq' in variable formula
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2
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13
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November 20, 2024
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Modeling triclinic molecular crystal from CIF data
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6
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61
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November 19, 2024
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Pair_style for system composed of N and C
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3
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30
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November 19, 2024
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