pymatgen

Topic	Replies	Views	Activity
Resources related to pymatgen and previous discussions pymatgen In addition to this forum, resources related to pymatgen can be found at: pymatgen.org for official documentation matgenb for example Jupyter notebooks GitHub issues for bug reports and known issues prior to this fo…	1	1945	November 8, 2019
About the pymatgen category pymatgen	0	571	October 30, 2019
About the use of MagneticStructureEnumerator class pymatgen	5	243	June 1, 2023
Searching materials with a general formula pymatgen	0	13	June 1, 2023
How to get mineral or gem name from cif or mat_id pymatgen	0	19	May 26, 2023
How to download only FM materials using MAPI? pymatgen	1	32	May 26, 2023
MPAqueousCompatibility applies hydrate correction to non-hydrate materials pymatgen	8	112	May 17, 2023
How to retrieve all entries of a general formula using get_entries_in_chemsys? pymatgen pymatgen	2	36	May 17, 2023
Pymatgen molecule from structure pymatgen	0	34	May 6, 2023
LOBSTER Pymatgen NN pymatgen	0	33	April 30, 2023
Structure file, cif pymatgen	4	64	April 28, 2023
Create video/gif from XDATCAR pymatgen	6	186	April 27, 2023
Rotating polyhedron in lattice pymatgen	0	37	April 27, 2023
Get bonds using matminer or pymatgen pymatgen matminer	0	43	April 26, 2023
VoronoiInterstitialGenerator use pymatgen	0	46	April 17, 2023
Pourbaix Diagram pymatgen pymatgen	0	65	April 3, 2023
Pourbaix digram entry with a wrong composition pymatgen	3	140	March 26, 2023
Outcar method read_elastic_tensor() broken? pymatgen	2	103	March 26, 2023
Question about Grand Potential Interfacial Reactivity pymatgen pymatgen	6	289	March 15, 2023
MPRelaxSet POTCAR error pymatgen	5	368	March 14, 2023
How to generate metal decoration and H2 molecule on surface using ads_structs=asf.generate_adsorption_structures pymatgen	0	80	March 10, 2023
Exporting XRD as csv or txt to plot with experimental results pymatgen	1	129	February 24, 2023
Error while get_slabs() is symmetrizing the surface pymatgen error	2	166	February 22, 2023
Angle (glitch?) in a crystal structure under periodic boundary conditions pymatgen pymatgen	1	122	February 16, 2023
MPRelaxSet write LDAU=True for transitional metal surface pymatgen	2	96	February 16, 2023
Charge-balance analysis using pymatgen pymatgen materials-project	1	239	January 23, 2023
Problems with partial PBCs on previously pickled structures pymatgen bug-report	2	428	January 22, 2023
How site nearest neighbors can be found in `pymatgen` pymatgen	4	172	January 17, 2023
Why pymatgen fails to identify the semi-metallicity of graphene from the bandstructure? pymatgen	0	112	January 7, 2023
MPRelaxSet.write_input() no EDIFFG in INCAR pymatgen pymatgen , materials-project	3	191	January 8, 2023

Resources related to pymatgen and previous discussions

In addition to this forum, resources related to pymatgen can be found at: pymatgen.org for official documentation matgenb for example Jupyter notebooks GitHub issues for bug reports and known issues prior to this fo…