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Embedding Tersoff interatomic potential parameters in Gulp
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1
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75
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August 4, 2022
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Simulating quartz nanoparticles
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2
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67
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August 3, 2022
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Installing GULP
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10
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421
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August 2, 2022
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Segmentation fault when running parallel on server with slurm
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3
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95
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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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102
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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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121
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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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148
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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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75
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June 26, 2022
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GULP on Windows 11:
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4
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151
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June 23, 2022
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Output frequency "error"
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1
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65
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June 5, 2022
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Installing problem
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2
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136
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May 23, 2022
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Torsional Parameter fitting
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1
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122
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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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95
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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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110
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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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136
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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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106
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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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115
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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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139
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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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112
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March 31, 2022
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Example 67
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4
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161
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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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207
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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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166
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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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224
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March 2, 2022
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For find groupvelocity
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6
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348
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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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121
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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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254
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February 10, 2022
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How to estimated required memory?
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3
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290
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February 9, 2022
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LJ truncate+shift
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3
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175
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February 3, 2022
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MgO Phonon density of states
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1
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213
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February 2, 2022
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Coulomb-Buckingham Potential
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2
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185
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January 24, 2022
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