|
Force field (Dreading, UFF) do not work when space group is used for structure descrition
|
|
7
|
333
|
April 22, 2024
|
|
AMBER FFs in GULP
|
|
6
|
394
|
April 21, 2024
|
|
GULP on Windows 11:
|
|
6
|
1124
|
April 19, 2024
|
|
Fit energy
|
|
1
|
197
|
April 17, 2024
|
|
Example 6 in GULP website - Regarding
|
|
8
|
290
|
April 4, 2024
|
|
Force constants calculated by Gulp 5.2 and gulp 6.2 are different
|
|
4
|
251
|
April 3, 2024
|
|
Phonon dispersion curves
|
|
3
|
335
|
March 28, 2024
|
|
Installing GULP
|
|
27
|
3788
|
March 28, 2024
|
|
GULP - Anion order
|
|
2
|
171
|
March 26, 2024
|
|
Three body potential counting
|
|
1
|
205
|
March 26, 2024
|
|
Isothermal optimization
|
|
1
|
219
|
March 17, 2024
|
|
PCFF potential in GULP
|
|
1
|
210
|
March 13, 2024
|
|
Study defects
|
|
3
|
319
|
February 12, 2024
|
|
Specifying positions
|
|
1
|
188
|
February 12, 2024
|
|
Fitting LJ (epsilon, Sigma form) for successive configuration files
|
|
2
|
363
|
February 8, 2024
|
|
Greater atom connectivity error
|
|
2
|
237
|
January 29, 2024
|
|
Parallel and serial
|
|
8
|
438
|
January 24, 2024
|
|
Phonon Frequencies are all output as 0
|
|
2
|
205
|
January 24, 2024
|
|
How to Choose Dynamical Matrix Cutoff
|
|
1
|
237
|
January 18, 2024
|
|
The input generated by material studio is not compatible with original group
|
|
9
|
596
|
December 18, 2023
|
|
Installing error
|
|
2
|
305
|
December 15, 2023
|
|
Dihedral part of OPLS force field
|
|
1
|
243
|
December 8, 2023
|
|
Difference in single point energy between GULP and Gromacs
|
|
4
|
334
|
December 7, 2023
|
|
Gulp nfsroot install
|
|
2
|
206
|
November 28, 2023
|
|
Three-body rmin cut offs
|
|
2
|
238
|
November 15, 2023
|
|
Charge compensation by hole formation modelling
|
|
4
|
272
|
November 14, 2023
|
|
Visualization in GDis
|
|
1
|
228
|
November 13, 2023
|
|
Lattice energy optimisation
|
|
3
|
243
|
November 8, 2023
|
|
Group velocity dependency on unit cell size
|
|
1
|
239
|
November 6, 2023
|
|
How to install gulp in ubuntu
|
|
3
|
255
|
October 31, 2023
|