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qzhu2017
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XRD
X-ray diffraction calculations
MIT License
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Bump numpy from 1.18.1 to 1.22.0
#36
dependabot[bot]
opened
2 years ago
0
Import Errors
#35
sabaronett
closed
3 years ago
4
Bump jinja2 from 2.10.3 to 2.11.3
#34
dependabot[bot]
closed
3 years ago
0
VXRD: Profiling
#33
qzhu2017
closed
4 years ago
5
VXRD: Web Server
#32
sabaronett
opened
4 years ago
2
update Readme.MD
#31
qzhu2017
closed
3 years ago
1
Structure Factor + Additional Profiling
#30
sayred1
opened
4 years ago
1
VXRD: Self-Gen. Structs
#29
sabaronett
opened
4 years ago
1
VXRD: Experimental Data
#28
qzhu2017
opened
4 years ago
1
VXRD: Comparison
#27
sabaronett
opened
4 years ago
7
Similarity check for two structures
#26
qzhu2017
closed
4 years ago
4
Discrepancy between our XRD and vesta
#25
qzhu2017
closed
4 years ago
13
Discrepancy between XRD and .diff file
#24
qzhu2017
closed
4 years ago
0
XRD w/ Numba
#23
sayred1
closed
4 years ago
2
VXRD: Forms
#22
sabaronett
closed
4 years ago
22
VXRD: Enhancements
#21
sabaronett
opened
4 years ago
6
VXRD: Uploads
#20
sabaronett
closed
4 years ago
0
Origin of theta dependent FWHM function/fit parameters?
#19
sayred1
closed
4 years ago
0
Improve resolution of individual peak-profiles
#18
sayred1
closed
4 years ago
0
Speed up calculation of theta dependent FWHM
#17
sayred1
closed
4 years ago
0
Include occupancies in structure factor term.
#16
sayred1
closed
4 years ago
1
FWHM
#15
qzhu2017
closed
4 years ago
18
Clean up the repo after ***
#14
qzhu2017
closed
4 years ago
10
Weight function in similarity calculation
#13
qzhu2017
closed
4 years ago
3
Similarity function
#12
qzhu2017
closed
4 years ago
8
Online interactive XRD calculator
#11
qzhu2017
closed
4 years ago
7
Validation Dataset
#10
qzhu2017
closed
4 years ago
17
XRD is not consistent with Mercury
#9
qzhu2017
closed
4 years ago
3
Factors & Profiling Functions
#8
sayred1
closed
4 years ago
2
Scattering Factor
#7
sayred1
closed
4 years ago
6
systematic comparison with Pymatgen/CSD/VESTA
#6
qzhu2017
closed
4 years ago
0
formula to determine hkl_max
#5
qzhu2017
closed
4 years ago
0
The cif reader
#4
Glading
closed
6 years ago
0
Diffraction Pattern
#3
qzhu2017
closed
4 years ago
0
triclinic system
#2
qzhu2017
closed
6 years ago
1
CIF reader
#1
qzhu2017
closed
5 years ago
2