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XRD data conversion

score 81 · Answer 1 · 2023-10-30T22:25:56.180000

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XRD data conversion

81 views Asked by Taiwo At 30 October 2023 at 22:25

score 69 · Answer 2 · 2023-07-20T14:11:20.780000

ImportError when using abicheck.py with abipy and pymatgen

69 views Asked by Elmoutaouakil Alaraby At 20 July 2023 at 14:11

score 67 · Answer 3 · 2023-05-10T06:57:37.017000

Extraction of a feature for all atoms within a 1×1×1 computational cell at the center of a 3×3×3 supercell

67 views Asked by rahul sharma At 10 May 2023 at 06:57

score 119 · Answer 4 · 2023-05-01T16:57:24.030000

Problem when using AdsorbateSiteFinder/find_adsorption_sites with Pymatgen

119 views Asked by Axel_KH At 01 May 2023 at 16:57

score 264 · Answer 5 · 2023-04-25T07:51:09.763000

Import nglview in jupyter lab

264 views Asked by R Walser At 25 April 2023 at 07:51

score 320 · Answer 6 · 2023-02-12T18:04:09.920000

While doing "from pymatgen.core.io.cif import CifParser" in PYMATGEN i got this error

320 views Asked by Bhupendra Sharma At 12 February 2023 at 18:04

score 883 · Answer 7 · 2022-12-19T00:44:30.923000

Get graph from a structure with pymatgen

883 views Asked by suribe06 At 19 December 2022 at 00:44

score 868 · Answer 8 · 2022-09-07T14:51:22.770000

Can't install Pymatgen [Could not build wheels for pymatgen]

868 views Asked by KoenH At 07 September 2022 at 14:51

score 83 · Answer 9 · 2022-07-03T08:19:14.567000

Select rows based on data variable in column and remove others

83 views Asked by Neelesh Gupta At 03 July 2022 at 08:19

score 152 · Answer 10 · 2022-05-17T06:38:09.590000

Getting all combinations of a string with subscript and specif format

152 views Asked by Neelesh Gupta At 17 May 2022 at 06:38

score 552 · Answer 11 · 2022-05-15T10:43:22.840000

How to extract conventional standard type CIF files from Materials Project through pymatgen or matminer

552 views Asked by 李子源 At 15 May 2022 at 10:43

score 1816 · Answer 12 · 2022-03-24T01:24:38.057000

Can't import pymatgen.core "No module named 'pymatgen.core'"

1.8k views Asked by xist At 24 March 2022 at 01:24

score 1089 · Answer 13 · 2021-12-20T09:43:23.650000

ipython no error, jupyter has error ModuleNotFoundError: No module named 'ruamel'

1k views Asked by Paul Fons At 20 December 2021 at 09:43

score 191 · Answer 14 · 2021-10-31T19:17:32.683000

how can I resolve this key error in this section of program

191 views Asked by babak ab At 31 October 2021 at 19:17

score 119 · Answer 15 · 2021-09-11T03:04:26.550000

How to access python library stored in separate environment?

119 views Asked by Yash Panchal At 11 September 2021 at 03:04

score 1053 · Answer 16 · 2021-09-03T22:02:53.627000

ImportError: cannot import name 'Molecule' from 'pymatgen' (unknown location)

1k views Asked by Md. Azharul Islam At 03 September 2021 at 22:02

score 1025 · Answer 17 · 2021-05-28T09:22:51.913000

Pymatgen Installation issue with Anaconda python 3.8 ? Monty module not found?

1k views Asked by Pratap Muthukrishnan At 28 May 2021 at 09:22

score 958 · Answer 18 · 2021-04-27T12:25:58.437000

Saving/Storing pymatgen Structures

958 views Asked by James Arten At 27 April 2021 at 12:25

score 812 · Answer 19 · 2021-02-15T07:35:31.077000

Google Colab shows error while installing pymatgen

812 views Asked by abhishek At 15 February 2021 at 07:35

score 58 · Answer 20 · 2020-06-08T15:59:50.913000

Download data with topological classification

58 views Asked by hemanta At 08 June 2020 at 15:59

TechQA.

List Question

XRD data conversion

ImportError when using abicheck.py with abipy and pymatgen

Extraction of a feature for all atoms within a 1×1×1 computational cell at the center of a 3×3×3 supercell

Problem when using AdsorbateSiteFinder/find_adsorption_sites with Pymatgen

Import nglview in jupyter lab

While doing "from pymatgen.core.io.cif import CifParser" in PYMATGEN i got this error

Get graph from a structure with pymatgen

Can't install Pymatgen [Could not build wheels for pymatgen]

Select rows based on data variable in column and remove others

Getting all combinations of a string with subscript and specif format

How to extract conventional standard type CIF files from Materials Project through pymatgen or matminer

Can't import pymatgen.core "No module named 'pymatgen.core'"

ipython no error, jupyter has error ModuleNotFoundError: No module named 'ruamel'

how can I resolve this key error in this section of program

How to access python library stored in separate environment?

ImportError: cannot import name 'Molecule' from 'pymatgen' (unknown location)

Pymatgen Installation issue with Anaconda python 3.8 ? Monty module not found?

Saving/Storing pymatgen Structures

Google Colab shows error while installing pymatgen

Download data with topological classification

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