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How to make a straight polyethylene chain
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1
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116
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July 13, 2024
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How to create an input mapping file (map.in) for the `fix phonon` command in LAMMPS to calculate the phonon dispersion curve?
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3
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143
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July 13, 2024
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Pourbaix Diagram -Tempurature Adjustment
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1
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31
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July 12, 2024
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Log the velocity of all atoms that leave the simulation box
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6
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61
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July 12, 2024
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Total force from pair style
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3
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44
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July 11, 2024
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Freeze selected bond distances or atom coordinates
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1
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25
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July 11, 2024
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Move atoms over long distances
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1
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46
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July 10, 2024
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How can i download the chgcar file for multiples mp_ids and convert them into individual npy files?
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5
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57
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July 9, 2024
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Download Symmetrized cif files using MP_API
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0
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29
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July 8, 2024
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Check if atom is placed too near to another
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2
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51
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July 8, 2024
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Thermostating the borders of a supercell
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6
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62
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July 5, 2024
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Multiple KIM installations or cannot find libkim-api.so
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4
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177
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July 5, 2024
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Dimer formation and simulation
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1
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56
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July 4, 2024
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Question about fix ttm/mod
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5
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94
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July 3, 2024
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New user issues and helps needed
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3
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71
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July 2, 2024
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Incorrect args for pair coefficients and TI
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3
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50
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July 2, 2024
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How to use compute TI with soft-core potentials
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1
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41
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July 2, 2024
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Some question about fix atom/swap
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2
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62
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July 2, 2024
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Building Lammps for M3 mac
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1
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60
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July 2, 2024
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Calculating VdW and Coulombic energy
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2
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59
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June 29, 2024
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Using different force field for particles in different molecules and in the same molecule
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6
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179
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June 28, 2024
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Bulk Modulus for Multiple Materials via Materials Project API
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5
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499
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June 28, 2024
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Huge Etotal difference between TIP4p implicit VS explicit methods from the manual script
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12
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348
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June 27, 2024
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Handling Magnetic Moments in Phonon Calculations Workflow
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1
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79
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June 27, 2024
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Following water box in LAMMPS guide, H2O molecules look strange in dump file
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8
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84
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June 25, 2024
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Questions about CHARMM 1-4 interactions in lammps
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4
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68
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June 25, 2024
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Fix ttm/mod input file values
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1
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61
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June 24, 2024
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TypeError: VaspInput.write_input() got an unexpected keyword argument 'potcar_spec'
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1
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93
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June 23, 2024
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A question about Compute RDF
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1
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54
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June 22, 2024
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Colliodal pair style - assistance
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10
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96
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June 21, 2024
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