- #1
shitij
- 19
- 0
Hi all !
I am a summer trainee and am currently making (modifying: I am changing the way the program takes input) a program in Fortran, and my math is a little shaky.
What I have is an input file with 3 parameters in it for the equation (which is the equation for calculating torsional potential):
K (1+cos(nQ-phi))
The parameters given to me are: K, n and phi.
Now the program takes 7 parameters for this equation which are the prefactors for the corresponding power series (it does it that way because calculating double differential is easier then).
So, I have to convert the given 3 parameters to the 7 parameters that the programs wants.
How do I do that?
I looked at the taylor series expansion on wikipedia, but I am not sure what I should expand this against. Is power series = maclaurin series? So I have to expand this around a=0?
Thanks !
I am a summer trainee and am currently making (modifying: I am changing the way the program takes input) a program in Fortran, and my math is a little shaky.
What I have is an input file with 3 parameters in it for the equation (which is the equation for calculating torsional potential):
K (1+cos(nQ-phi))
The parameters given to me are: K, n and phi.
Now the program takes 7 parameters for this equation which are the prefactors for the corresponding power series (it does it that way because calculating double differential is easier then).
So, I have to convert the given 3 parameters to the 7 parameters that the programs wants.
How do I do that?
I looked at the taylor series expansion on wikipedia, but I am not sure what I should expand this against. Is power series = maclaurin series? So I have to expand this around a=0?
Thanks !