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Fitting a Buckingham-Coulomb Force field for an Energetic Material
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1
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12
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August 13, 2022
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How to distinguish the modes
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1
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18
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August 12, 2022
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Installing GULP
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2
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29
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August 8, 2022
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Embedding Tersoff interatomic potential parameters in Gulp
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1
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25
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August 4, 2022
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Simulating quartz nanoparticles
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2
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30
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August 3, 2022
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Installing GULP
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10
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126
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August 2, 2022
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'Problem with Gulp registration'
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2
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32
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July 29, 2022
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Segmentation fault when running parallel on server with slurm
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3
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28
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July 28, 2022
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Frequency calculation of defect system
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2
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33
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July 19, 2022
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Defining bilayer graphene for MD simulation
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2
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53
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July 13, 2022
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How to improve my fitting for Buckingham parameters
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2
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50
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June 30, 2022
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"Type mismatch" error when parallel compile gulp-6.0 with gcc12
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2
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29
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June 26, 2022
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GULP on Windows 11:
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4
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54
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June 23, 2022
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Output frequency "error"
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1
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37
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June 5, 2022
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Installing problem
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2
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82
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May 23, 2022
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Torsional Parameter fitting
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1
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51
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May 18, 2022
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Adding a pseudo element to GULP code
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3
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60
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May 9, 2022
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Optimizing zeolites with partial cation occupancy
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3
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70
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April 17, 2022
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Error when running defect calculation
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6
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90
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April 13, 2022
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Could I change those parameters of optimization?
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1
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65
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April 11, 2022
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"check format near vectors" errors
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4
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63
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April 6, 2022
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How to output a .eig file for eigenvectors?
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4
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89
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April 4, 2022
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Chi and mu parameters for electronegativity equalisation method (EEM) vs. QEq
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3
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72
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March 31, 2022
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Example 67
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4
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117
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March 27, 2022
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Fixing atoms in structure optimizations
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5
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150
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March 11, 2022
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Optimising efficiency for large system optimisation
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2
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119
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March 11, 2022
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ERROR:ld returned 1 exit status
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1
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104
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March 2, 2022
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For find groupvelocity
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6
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244
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February 16, 2022
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Set up input file for calculation of elastic tensor using MD?
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1
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76
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February 10, 2022
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Some NEB calculations are getting stuck
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1
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162
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February 10, 2022
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