|
MD simulation cell angles fixed
|
|
0
|
25
|
May 16, 2024
|
|
NEB calculation on grain boundaries in gulp
|
|
0
|
43
|
May 3, 2024
|
|
Nonlinear constraints on fitting variables
|
|
0
|
50
|
April 29, 2024
|
|
Kliff
|
|
0
|
94
|
April 26, 2024
|
|
GULP and general force fields as Dreading, UFF, GAFF and OPLS-AA
|
|
0
|
57
|
April 24, 2024
|
|
Force field (Dreading, UFF) do not work when space group is used for structure descrition
|
|
7
|
77
|
April 22, 2024
|
|
AMBER FFs in GULP
|
|
6
|
201
|
April 21, 2024
|
|
Fitting EAM potential
|
|
0
|
63
|
April 21, 2024
|
|
GULP on Windows 11:
|
|
6
|
752
|
April 19, 2024
|
|
Fit energy
|
|
1
|
62
|
April 17, 2024
|
|
Example 6 in GULP website - Regarding
|
|
8
|
104
|
April 4, 2024
|
|
Force constants calculated by Gulp 5.2 and gulp 6.2 are different
|
|
4
|
88
|
April 3, 2024
|
|
Phonon dispersion curves
|
|
3
|
106
|
March 28, 2024
|
|
Installing GULP
|
|
27
|
2834
|
March 28, 2024
|
|
GULP - Anion order
|
|
2
|
61
|
March 26, 2024
|
|
Three body potential counting
|
|
1
|
75
|
March 26, 2024
|
|
Isothermal optimization
|
|
1
|
101
|
March 17, 2024
|
|
PCFF potential in GULP
|
|
1
|
96
|
March 13, 2024
|
|
Study defects
|
|
3
|
116
|
February 12, 2024
|
|
Specifying positions
|
|
1
|
83
|
February 12, 2024
|
|
Fitting LJ (epsilon, Sigma form) for successive configuration files
|
|
2
|
197
|
February 8, 2024
|
|
Greater atom connectivity error
|
|
2
|
120
|
January 29, 2024
|
|
Parallel and serial
|
|
8
|
282
|
January 24, 2024
|
|
Phonon Frequencies are all output as 0
|
|
2
|
103
|
January 24, 2024
|
|
How to Choose Dynamical Matrix Cutoff
|
|
1
|
123
|
January 18, 2024
|
|
The input generated by material studio is not compatible with original group
|
|
9
|
314
|
December 18, 2023
|
|
Installing error
|
|
2
|
170
|
December 15, 2023
|
|
Dihedral part of OPLS force field
|
|
1
|
146
|
December 8, 2023
|
|
Difference in single point energy between GULP and Gromacs
|
|
4
|
186
|
December 7, 2023
|
|
Gulp nfsroot install
|
|
2
|
144
|
November 28, 2023
|