|
Stress-dependent generalized stacking fault energy curve
|
|
0
|
7
|
July 26, 2021
|
|
Shear motion in opposite of Box deformation
|
|
2
|
13
|
July 26, 2021
|
|
Large crystal generation(NaCl) from unit cell
|
|
9
|
27
|
July 26, 2021
|
|
Mn doped SmFeO3 property prediction
|
|
13
|
105
|
July 26, 2021
|
|
No module named 'pymatgen.symmetry.kpath'
|
|
1
|
21
|
July 26, 2021
|
|
Couette flow with temp controlling
|
|
3
|
32
|
July 23, 2021
|
|
Creating oriented structure in pymatgen
|
|
0
|
25
|
July 23, 2021
|
|
How to build lmp binary (gpu package)
|
|
2
|
35
|
July 23, 2021
|
|
Different angle style, dihedral style, and improper style for MOF and guest moleucle
|
|
3
|
28
|
July 22, 2021
|
|
Jenkins continuous integration source code
|
|
4
|
41
|
July 22, 2021
|
|
BaderAnalysis - Help
|
|
2
|
46
|
July 21, 2021
|
|
Velocity command in granule
|
|
8
|
56
|
July 21, 2021
|
|
MSD curve of Ni-Al
|
|
3
|
38
|
July 21, 2021
|
|
How to install Kokkos in a correct way?
|
|
13
|
61
|
July 17, 2021
|
|
Pymatgen sub-package for lifting a surface layer in z (c) direction
|
|
2
|
30
|
July 15, 2021
|
|
GCMC of confined LJ fluid
|
|
2
|
21
|
July 13, 2021
|
|
Generating a supercell from a material's structure data
|
|
4
|
36
|
July 13, 2021
|
|
How to calculate yield pressure of a specific group of atoms
|
|
2
|
31
|
July 12, 2021
|
|
Issue With Avogadro Input
|
|
5
|
23
|
July 12, 2021
|
|
Lammps input card in a nvidia GPU
|
|
6
|
96
|
July 11, 2021
|
|
ERROR: Incorrect atom format in data file
|
|
1
|
31
|
July 10, 2021
|
|
Adding hydroxide ion (OH-) and ammonium ion (NH4+) to the simulation box
|
|
8
|
45
|
July 9, 2021
|
|
Voronoi volumes of all atoms in structure
|
|
0
|
23
|
July 5, 2021
|
|
Cannot Import name 'coord_cython' from 'pymatgen.util'
|
|
0
|
34
|
July 4, 2021
|
|
Cell size on adsorption calculations
|
|
0
|
26
|
July 3, 2021
|
|
Pymatgen complaining about missing deprecated POTCAR files
|
|
4
|
89
|
July 3, 2021
|
|
How to build a dipole screw dislocations with periodic boundaries
|
|
0
|
28
|
July 2, 2021
|
|
"Domain too large for neighbor bins" error but no significant change of domain
|
|
0
|
23
|
July 2, 2021
|
|
Editing the magnetic moment of specific sites
|
|
0
|
18
|
July 1, 2021
|
|
Dump command in code for previous version not working in current version
|
|
1
|
24
|
June 30, 2021
|
