henniggroup MPInterfaces issues

henniggroup / MPInterfaces

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

http://henniggroup.github.io/MPInterfaces/

MIT License

71 stars 48 forks source link

issues

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Newest Most commented Recently updated Oldest Least commented Least recently updated

Refactor pymatgen calls, improve config loading in MPInterfaces, and make `examples/hetero_interface.py` works.

#28 hongyi-zhao opened 7 months ago
0
Problem with the Pourbaix diagram

#27 Dbugf opened 1 year ago
1
ValueError: Invalid format: `*****/poscar`

#26 skvarjun opened 1 year ago
0
Please update code

#25 thienbinh92 opened 2 years ago
0
Can not import pymatgen modules

#24 thienbinh92 opened 3 years ago
3
MPInterfaces_Latest cannot be installed on Windows 10

#23 goodwilling opened 3 years ago
0
Transformations update

#22 kvs11 closed 4 years ago
0
some fixes for dependency related errors April 2020

#21 joshgabriel closed 4 years ago
0
updated function location

#20 bencomer closed 4 years ago
1
fix the calculation of fermi velocity

#19 yw-fang opened 5 years ago
1
KeyError:symbols

#18 KatherineJY closed 4 years ago
1
Missing atom on interface

#17 petavazohi opened 6 years ago
2
Merge into Master the solution for the build errors

#16 joshgabriel closed 7 years ago
1
Interstitials

#15 ashtonmv closed 7 years ago
1
Cannot read in mpint_config.yaml file

#14 Djordje117 opened 7 years ago
0
import error while using lammps.py module

#13 joshgabriel opened 7 years ago
0
Utils fixme - added some unit tests

#12 joshgabriel closed 7 years ago
1
Utils fixme

#11 joshgabriel closed 7 years ago
5
Merged utils

#10 ashtonmv closed 7 years ago
2
variable not defined

#9 matk86 closed 7 years ago
3
cant find the function definition

#8 matk86 closed 7 years ago
1
Massive update on twod materials generation and analysis tools, band structure calculations, calibrate workflow tools, chem_sub

#7 joshgabriel closed 7 years ago
7
Latest twod_materials integration

#6 ashtonmv closed 7 years ago
8
Compatibility of instrument.py with newer pymatgen versions

#5 marcoesters closed 7 years ago
0
Update calibrate.py

#4 marcoesters closed 8 years ago
0
calibrate.py creates folder names with spaces

#3 marcoesters closed 8 years ago
1
GPL license comments

#2 rhennig closed 8 years ago
1
Orthogonal surfaces

#1 shyuep closed 9 years ago
1