Hello everyone, I have a physics background and have been mainly coding mathematica, python/cython , and julia so far (Though not efficiently, just to get things done). Lately, I realized that better code makes your life so much easier so I spent a fair amount of time improving some code I had. Due…

[image] mcditoos: is_equal = all(abs(this%data - other%data) < tol) [image] mcditoos: res%data = matmul(this%data, other%data) In is_equal and mult_matrix you probably should add a dimension compatibility check before performing operations that could suffer a runtime error.

[image] mcditoos: allocate(res%data(size(this%data, 1), size(this%data, 2))) The allocated dimensions of the transpose result are incorrect, they need to be swapped.

Thanks a lot for your comments, wasn’t aware that was processor dependent. I think I’ll go with the iso_fortran_env. I also wasn’t aware that preallocation wasn’t necessary, I kind of took that from a forum and then assumed it needed to be used everywhere. will something like deallocation also hap…

[image] mcditoos: will something like deallocation also happen if I assign another value to the same variable? Yes, my understanding is that deallocation and reallocation happen automatically if the dimensions don’t match. Someone else might correct me if that’s wrong.

[image] mcditoos: ! Procedure to print the matrix subroutine print_matrix(this) class(Qobj), intent(in) :: this print *, "Matrix:" print *, this%data end subroutine print_matrix You might have already learned this the hard way, but this will not print something that looks like…

[image] Machalot: [image] mcditoos: will something like deallocation also happen if I assign another value to the same variable? Yes, my understanding is that deallocation and reallocation happen automatically if the dimensions don’t match. Someone else might correct me if that’s wrong. …

When we started writing our electronic structure code (about 20 years ago), we also started by defining objects (like wavefunctions) and using operator overloading to manipulate them. After about three weeks we went back to flat arrays and procedural code, and we’ve never looked back. There is only…

[image] mcditoos: ! Overload == operator for Qobj logical function is_equal(this, other) class(Qobj), intent(in) :: this, other real(8), parameter :: tol = 1.0e-10 is_equal = all(abs(this%data - other%data) < tol) end function is_equal From C++ core guidelines, Overload on…

An fpm package for displaying small matrices is at GitHub - urbanjost/M_display: An fpm(1) package for displaying small matrices based on dispmodule(3f) which wraps dispmodule in fpm.

Newbie looking for advice

Help

vmagnin July 24, 2024, 9:13am 10

Welcome to the Fortran Discourse, @mcditoos

Concerning Discord channels, you can try:

Topic		Replies	Views
Discussion about performance of OOP in Fortran Uncategorized	14	1026	December 2, 2024
Comments in ResearchGate about Fortran Uncategorized	16	1114	February 11, 2021
What are your favorite and least favorite things about Fortran? Uncategorized	85	5032	August 7, 2022
Linear algebra support in stdlib stdlib	27	1945	March 27, 2025
Replacing legacy code with Julia Uncategorized	15	1114	July 8, 2022

Newbie looking for advice

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