qzhu2017 / XRD

X-ray diffraction calculations
MIT License
7 stars 6 forks source link

XRD w/ Numba #23

Closed sayred1 closed 4 years ago

sayred1 commented 4 years ago

The distribution of times each function in XRD.py are as follows: self.all_dhkl(): 0.0014946460723876953 self.intensity(): 0.10586690902709961 self.pxrdf(): 0.00044083595275878906 self.get_profile(): 50.00816059112549 (for function = split-type)

After wrapping self.get_profile(), the computation time decreases to 1.2611253261566162.

qzhu2017 commented 4 years ago

@sayred1 Is this done?