Inverse of matrix

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1

Dear LAMMPS Experts,

In my problem at one step i have to use the inverse of matrix and then multiply with some vector and again that output give as input in lammps.

I have to do this process repeatedly.

Right now i am doing matrix inverse in MATLAB but is there any command in LAMMPS where i can do inverse of matrix. So that i can save my lot time.

Thanks.

Ankit Agrawal

PhD Scholar in Computational Biology

IMSc Chennai

2

Ankit,

I am not entirely sure where the matrix and vector come from or when you need them or how you are using them but presumably you could use LAMMPS python interface to do what you need.

David Hyde-Volpe

3

Dear LAMMPS Users,

As a beginner, I am trying to go through the steps indicated in LAMMPS Tutorial 1 (https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_Help), by running the given example in Unix. However, I got stacked while running LAMMPS as I got an error message indicating that the file "Al99.eam.alloy" couldn't be opened!!
I would appreciate it very much if any one of you who has had any experience so far in dealing with this issue could let me know what went wrong in the process.

Thanks in advance.

Brahim

4

Hey,

you're sure you want to calculate the exact inverse?

Best,
Stephan

5

Is the file in the same directory where you execute LAMMPS ?

Ray

6

Also note that that file is not part of the LAMMPS

distribution. It must be one that the MS State site

is providing for use with their tutorials.

Steve