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F77 - DO loops and grids

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elbodno

Programmer
Jan 21, 2009
2
GB
Hi,
I'm relatively new to Fortran 77, which I am currently writing code for as part of my research. I work with proteins, and am currently editing an in-house Monte Carlo code. My problem is that I need to effectively project a grid onto the system, and then be able to recall and cycle through each grid point to do calculations on it.
What I've tried to do is set up 3 DO loops, i.e. do igrix=1,100, and defining igridx as a double precision variable. Ideally, I'd like to be able to tell the system to go from 0 to 0.5 to 1 and so on (i.e. in non-integer jumps). Is there an easy way of doing this?
Secondly, has anyone got any ideas on any other ways how I could project a grid onto the system?
Thanks
 
Hi,

By "project a grid" are you referring to printing results into an existing PRINT FORM, printing results into a grid printout of your own design or generating a 3-Dimensional array for mathematical processing or something else?

Skip,
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[glasses]Just traded in my old subtlety...
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Hi,
What I need to do is generate a 3D array for processing. I need to be able to tell the program to loop over 100x100x100 grid points, and then do a calculation involving the 'coordinates' of the grid and the coordinates of the protein (which is already defined in the software)
 
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