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MoS2 cif citation
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1
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11
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March 28, 2025
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how to use _coeff command
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1
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13
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March 28, 2025
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Wrong bonding in output cif file
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14
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93
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March 27, 2025
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Set the different `path_type` when using RelaxBandStructureMaker
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1
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5
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March 26, 2025
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How to download the XANES of Sr
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3
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322
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March 25, 2025
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Fix balance without updating the core list
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2
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17
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March 23, 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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17
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March 21, 2025
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Changing pair coefficients amid simulation based on atom positions
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6
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52
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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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Turn off force evaluation for "frozen" atoms in minimization
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3
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41
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March 20, 2025
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Modelling iron (III) oxide surfaces
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8
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60
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March 19, 2025
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Calculation of the Müller-Plathe lattice TC on systems governed by the MEAM potential in LAMMPS: problems?
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4
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405
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March 19, 2025
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How to read from a file that has both wrapped and unwrapped position?
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4
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13
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March 18, 2025
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Creating explicit walls from complex regions—computational efficiency and wall integrity
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5
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36
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March 17, 2025
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How to prevent lammps from creating bond between atoms from different molecules?
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2
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26
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March 15, 2025
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Read_data for atom_style hybrid ellipsoid line
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1
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16
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March 15, 2025
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Downloading the Full Database via OPTIMADE – Overcoming the 1000-Result Limit
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2
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14
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March 14, 2025
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How to fix gibbs ensemble
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6
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50
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March 12, 2025
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Questions after reading ICET tutorial of 2024
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5
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15
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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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SiC thermal conductivity calculation for a specific temperature
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2
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47
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March 7, 2025
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Convex Hull and Delithiation Phase Stability
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2
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24
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March 7, 2025
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Applying Constant Shear Stress to Dislocation Using Lammps
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9
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1105
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December 3, 2024
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Fix move linear, how to prohibit rotation?
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14
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238
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March 4, 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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How do I get references from API?
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1
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22
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February 28, 2025
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Question About Cluster Expansion and Delithiated Structures
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1
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18
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February 28, 2025
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Script for calculating static structure factors of molecular liquids
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1
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29
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February 27, 2025
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Using 2 potentials in LAMMPS for MD and per-atom energy calculations respectively
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5
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47
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February 26, 2025
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How to create a periodic crystal structure with lots of angle, dihedral and improper interactions efficiently
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13
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229
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February 26, 2025
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