|
Search function broken on pymatgen github site
|
|
3
|
93
|
May 21, 2021
|
|
Pourbaix Diagram in the OER process
|
|
6
|
108
|
May 18, 2021
|
|
Trigonal prismatic local order parameter?
|
|
0
|
35
|
May 17, 2021
|
|
Generating compatible interfaces of known orientation relationships
|
|
9
|
95
|
May 17, 2021
|
|
Find adsorption sites in pymatgen
|
|
2
|
64
|
May 17, 2021
|
|
Reading variable lattice from Xdatcar and RDF
|
|
8
|
90
|
May 13, 2021
|
|
Parsing a VASP DOSCAR
|
|
3
|
81
|
May 11, 2021
|
|
Alternative to get_cell() ase method for pymatgen
|
|
1
|
51
|
May 9, 2021
|
|
Calculating distance in z direction
|
|
3
|
44
|
May 7, 2021
|
|
Backwards-incompatible change planned for v2022.0.0
|
|
5
|
111
|
April 30, 2021
|
|
Generating connectivity table for structure
|
|
1
|
72
|
April 30, 2021
|
|
Calculation stoichiometry for E_above_hull in "Rb2In4O7"
|
|
4
|
118
|
April 23, 2021
|
|
How to calculate Dangling-bond in pymagtgen?
|
|
1
|
71
|
April 21, 2021
|
|
Find_adsorption_sites
|
|
2
|
154
|
April 15, 2021
|
|
Question in making slab
|
|
3
|
138
|
April 14, 2021
|
|
How to convert hexagonal cell into tetragonal cell
|
|
4
|
548
|
December 1, 2020
|
|
Scaling of k-point mesh with the number of sites by generation from density
|
|
0
|
56
|
April 12, 2021
|
|
Boltztrap2 interface error
|
|
1
|
108
|
April 10, 2021
|
|
Error in getting bandstructure by material id through pymatgen
|
|
6
|
88
|
April 9, 2021
|
|
Band gap & Impurity level in eigenvalues
|
|
2
|
89
|
March 31, 2021
|
|
Issue with calculation of broken bonds
|
|
1
|
73
|
March 29, 2021
|
|
How do I use the molecule_matcher function?
|
|
4
|
325
|
March 29, 2021
|
|
Adding multiple adsorbates on a slab
|
|
0
|
69
|
March 27, 2021
|
|
Mean Field Temperature in HeisenbergMapper
|
|
0
|
69
|
March 22, 2021
|
|
How to sort a supercell for a molecular crystal?
|
|
0
|
50
|
March 20, 2021
|
|
Pymatgen: Band Structure Legend
|
|
0
|
59
|
March 16, 2021
|
|
Critic2Analysis class
|
|
1
|
48
|
March 15, 2021
|
|
How to define complex defect
|
|
2
|
124
|
March 12, 2021
|
|
Docs for pymatgen-diffusion out of date
|
|
4
|
99
|
February 28, 2021
|
|
Obtaining all the intercalation battery compositions of any working ion
|
|
1
|
115
|
February 26, 2021
|
