NEB calculation on grain boundaries in gulp
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|
0
|
14
|
May 3, 2024
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Nonlinear constraints on fitting variables
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0
|
21
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April 29, 2024
|
Kliff
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0
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22
|
April 26, 2024
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GULP and general force fields as Dreading, UFF, GAFF and OPLS-AA
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0
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29
|
April 24, 2024
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Force field (Dreading, UFF) do not work when space group is used for structure descrition
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|
7
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52
|
April 22, 2024
|
AMBER FFs in GULP
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|
6
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183
|
April 21, 2024
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Fitting EAM potential
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0
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35
|
April 21, 2024
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GULP on Windows 11:
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6
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690
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April 19, 2024
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Fit energy
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1
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40
|
April 17, 2024
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Example 6 in GULP website - Regarding
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8
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81
|
April 4, 2024
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Force constants calculated by Gulp 5.2 and gulp 6.2 are different
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4
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71
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April 3, 2024
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Phonon dispersion curves
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3
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71
|
March 28, 2024
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Installing GULP
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27
|
2716
|
March 28, 2024
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GULP - Anion order
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2
|
41
|
March 26, 2024
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Three body potential counting
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|
1
|
56
|
March 26, 2024
|
Isothermal optimization
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|
1
|
85
|
March 17, 2024
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PCFF potential in GULP
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|
1
|
76
|
March 13, 2024
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Study defects
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|
3
|
97
|
February 12, 2024
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Specifying positions
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|
1
|
66
|
February 12, 2024
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Fitting LJ (epsilon, Sigma form) for successive configuration files
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|
2
|
174
|
February 8, 2024
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Greater atom connectivity error
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|
2
|
95
|
January 29, 2024
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Parallel and serial
|
|
8
|
257
|
January 24, 2024
|
Phonon Frequencies are all output as 0
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|
2
|
79
|
January 24, 2024
|
How to Choose Dynamical Matrix Cutoff
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|
1
|
95
|
January 18, 2024
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The input generated by material studio is not compatible with original group
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|
9
|
284
|
December 18, 2023
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Installing error
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|
2
|
152
|
December 15, 2023
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Dihedral part of OPLS force field
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|
1
|
117
|
December 8, 2023
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Difference in single point energy between GULP and Gromacs
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|
4
|
160
|
December 7, 2023
|
Gulp nfsroot install
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|
2
|
121
|
November 28, 2023
|
Three-body rmin cut offs
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|
2
|
152
|
November 15, 2023
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