DEMO CODE:
#Differentiation and Integration using Python import sympy as sp #from sympy import * #To change the printing method of SymPy Live sp.init_printing() #Declare symbolic variables explicitly which are to be treated as symbols x = sp.symbols('x') y = sp.symbols('y') #Indefinite Integration integral = sp.integrate('1/sqrt(1-x*x)*1/sqrt(1-(1+x)**2)', x) #Definite integration #integral = sp.integrate('x**2 + x + 1', (x,0,1)) #Pretty print demo sp.pprint(sp.Integral(x**2 + x + 1, x)) print('=') print(integral) #Differentiation derivative = sp.diff('sin(x)', x) print(derivative)
YouTube Tutorial
Ph.D. researcher at Friedrich-Schiller University Jena, Germany. I’m a physicist specializing in computational material science. I write efficient codes for simulating light-matter interactions at atomic scales. I like to develop Physics, DFT, and Machine Learning related apps and software from time to time. Can code in most of the popular languages. I like to share my knowledge in Physics and applications using this Blog and a YouTube channel.
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sir,
when I am relaxing a system, I actually expect an output file, .xml file and .save folder. but why am i getting .bfgs and .update files along with 40 other pwscf files (40 is number of processors) and output file is not giving the final coordinates. In some cases convergence have been achieved. Please help me