|
<< Compiling error in phonond.F90 >>
|
|
5
|
32
|
February 26, 2025
|
|
Specifying bonds only for asymmetric unit cell parts
|
|
4
|
18
|
February 24, 2025
|
|
Compiling GULP using cray compilers on Archer2
|
|
1
|
13
|
February 23, 2025
|
|
Calibrating the GULP results against results done in similar software?
|
|
0
|
11
|
February 17, 2025
|
|
Best force field for organic molecular crystals?
|
|
2
|
23
|
February 10, 2025
|
|
Wrong bonding in output cif file
|
|
10
|
62
|
February 11, 2025
|
|
User-specified connectivity for a spring network application
|
|
2
|
12
|
February 2, 2025
|
|
Bidirectional bond type specification required?
|
|
3
|
14
|
February 1, 2025
|
|
LJ parameters fitting failed
|
|
1
|
17
|
February 1, 2025
|
|
Harmonic potential with negative parameters
|
|
2
|
15
|
January 29, 2025
|
|
Bonding in MOFs across periodic boundary
|
|
5
|
31
|
January 29, 2025
|
|
Structure output to cif incorrect
|
|
3
|
18
|
January 29, 2025
|
|
Decoding the content of Dump file
|
|
1
|
14
|
January 28, 2025
|
|
Can I use space group description and UFF?
|
|
8
|
35
|
January 28, 2025
|
|
ERROR : charge solution failed in setreaxffQiter
|
|
1
|
13
|
January 25, 2025
|
|
GULP 6.3 install error
|
|
2
|
28
|
January 23, 2025
|
|
Correctly UFF and Dreading force filed type assigned reference structures?
|
|
2
|
28
|
January 20, 2025
|
|
Building MPI version of GULP
|
|
10
|
48
|
January 16, 2025
|
|
Installing GULP on windows 10
|
|
15
|
1883
|
January 13, 2025
|
|
Genetic Fitting
|
|
2
|
18
|
January 13, 2025
|
|
Treatment of charges in regions
|
|
4
|
21
|
January 13, 2025
|
|
Force field fitting for MOFs (ERROR : Incorrect potential coefficient input)
|
|
3
|
36
|
January 9, 2025
|
|
How to use alamode correctly
|
|
1
|
18
|
January 6, 2025
|
|
ERROR : no valid trial for current configuration
|
|
4
|
23
|
January 6, 2025
|
|
Gulp for liquid system?
|
|
3
|
35
|
January 6, 2025
|
|
Monte carlo swapping in gulp
|
|
0
|
5
|
January 3, 2025
|
|
Potencial fitting
|
|
1
|
41
|
December 16, 2024
|
|
GULP+ALAMODE for structure optimization
|
|
2
|
21
|
December 9, 2024
|
|
How to use GULP to call Alamode for plotting phonon dispersion
|
|
3
|
28
|
December 6, 2024
|
|
GULP computes the eigenvector of the Si/Ge layer structure
|
|
3
|
12
|
December 6, 2024
|