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I have this code, which I read into it some input and ouput, now I want to average indivivually tbo1,tbo2,tbo3 and tbo4.My problem I dont seem to be getting it right,I thing Im getting it wrong in the write statment,I aslo want to write the output to be in colums and with heading tbo1...

Dear users I have this short code which is suppose to read 2 in put files i.e. bn_input and HISTORY file. I have placed a short version of a history file. My bn_input contains number of configurations starting from 1 to 10 (NCONFIGS) and NFRACT which can be 0 or 1. Now the problem when I read...

Hi forum users I need a set of numbers that can differentiate uniquely between the combinations.I choose powers of 3. Starting with 1, that gives multiples of 1, 2 and 3 before I reach the next number, which is 3, with it having multiples of 3, 6, 9, etc. If I write out the combinations...

Dear Forum users I have this piece of code which calculate coordination numbers around a specific atom. The code below works well to calculate the coordination numbers around Si and Al atoms. Now I want to increase number of atoms ,for example at Ca and Mg.then from there I want to work out...

Hi every one I have this code I have co developed,now I want to add a subroutine which calculated or do binning for different range of calculated angles. The code works fine but I struggling to add a subroutine which will do binning for this code. To make this easier I would like to do do...

Hi forum users I have this piece of code which reads data from a large file. Now I want your help,I would like to read the data in beats say read the fist 5 steps,then the next 5 steps but the data must be on the same file and in sequence. Before I read the first 5 step I must add a label...

Hi to all users I have a data I want to integrate using this function :temp=12.56*(((r(i)+r(1+i)/2+ r(i)/2))**2+((r(i+1)-r(i))*(gr(i)/2+gr(i+1)/2))) sum_f = sum_f + temp I have written 2 code to do this,code one is not working properly,I guess its my variables specification. Code 2 its...

Hi Forum users I have a velocity autocorrelation code which was made to read a three component velocity vectors and I have modified to read a 9 component stress tensor data. I can compile it successfully but when I try to run it and compute a stress correlation function I get an error: i.e...

Dear forum users I have this Fortran code which compiles nicely,it does not complain about anything but hangs after asking me to insert certain inputs parameters : I have a data with nine columns that I want to correlate I have included it below. Regards Lehloks program correl1...

HI guys I have an output data that I need to read and place it in different columns and have labels on top not on the left side. I have a little code for this but I can read all the data I want to read and place it in different colums as I want: Here the code I have rewriten: I need to read the...

Hi everyone I am tryying to integrate data in an external file using trapezium rule. I can compile the code and run it. But it does not seem to intergrate data in an external folder although i get the output. It looks like its intergrating the function and its parameters only. any help will be...