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Installing GULP on windows 10
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15
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1922
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January 13, 2025
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Genetic Fitting
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2
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22
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January 13, 2025
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Treatment of charges in regions
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4
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22
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January 13, 2025
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Force field fitting for MOFs (ERROR : Incorrect potential coefficient input)
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3
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47
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January 9, 2025
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ERROR : no valid trial for current configuration
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4
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23
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January 6, 2025
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Gulp for liquid system?
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3
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39
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January 6, 2025
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Monte carlo swapping in gulp
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0
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8
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January 3, 2025
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Potencial fitting
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1
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51
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December 16, 2024
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GULP+ALAMODE for structure optimization
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2
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25
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December 9, 2024
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How to use GULP to call Alamode for plotting phonon dispersion
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3
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35
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December 6, 2024
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GULP computes the eigenvector of the Si/Ge layer structure
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3
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15
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December 6, 2024
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From simultaneous fitting to relax fitting, show error?
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3
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36
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November 24, 2024
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Maximum atom number error?
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1
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18
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November 9, 2024
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GULP and general force fields as Dreading, UFF, GAFF and OPLS-AA
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1
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308
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October 29, 2024
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Is there a special option to control the number of molecules inserted in Monte Carlo calculations?
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4
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30
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October 29, 2024
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Fitting potential parameters
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10
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91
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October 16, 2024
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GULP optimization and dispersion of CNT
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7
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52
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October 15, 2024
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Inquiry on Using DeepMD Neural Network Potential in GULP
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1
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28
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October 7, 2024
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Fitting Core Shell Model for Si dope Beta Ga2O3
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4
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55
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October 3, 2024
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<< Running error >>
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3
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131
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October 1, 2024
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Fitting potential parameters
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2
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47
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September 24, 2024
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Fitting Buckingham potential parameters from defect energy
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1
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32
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September 19, 2024
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Compiling GULP with fftw3 + MPI - Can't open included file 'fftw3-mpi.f03'
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2
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118
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September 17, 2024
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2D system phonon dispersion curve
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4
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61
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September 4, 2024
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Defining bilayer graphene for MD simulation
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2
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585
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July 13, 2022
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Using the binding energy to fit the LJ parameter
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3
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49
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August 28, 2024
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Compilation error with GULP 6.2 and "old" gfortran
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5
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72
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August 13, 2024
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Fix/freeze region in gulp
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1
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14
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August 12, 2024
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Freeze selected bond distances or atom coordinates
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3
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84
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August 12, 2024
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Free energy calculation with pGFN-FF
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3
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98
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July 15, 2024
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