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I read the "J. Phys. Chem. B 2018, 122, 7616−7624" paper where they calculated the pair distribution function using wide-angle X-ray scattering and mentioned the term " The distances to the first coordination shell for low-, high-, and very-high-density amorphous ice (LDA, HDA, VHDA) were...

I have to create primitive lattices in Fortran just for learning and the beginning of simulation for which I had already created simple cubic lattice but in bcc, I am having trouble. For reference, I can attach the code for sc that I had written...

I need to write a code for my simulation for which I have to create bcc lattice. Can anybody suggest how I can start since I am jumbled up this 3d lattice coordinate writing?

Here I am attaching the fortran code and also the screen shot of error message... program readxvg implicit none real (kind=4) x,y integer :: lskip,lread character(len=30) :: infile,outfile,newfile integer :: nvals =0 integer :: sta real :: valu...

Whenever i compile the code it shows error

Thanks for your reply.. But this doesn't seems to work...

hello friends, I have written a small Fortran code to read the *.xvg file and extract the numeric data and it is working well but each time I have to modify the loop in order to read another *.xvg file. Can anybody help me in writing a more general code for the requisite work? here is my code...

I need help in writing a Fortran code to read in the numeric data, but the file contains initially some character in few initial lines and later the numeric data has been written. please help me in writing the Fortran code. I will be thankful for the kind help...