Multithreading of hartree-fock program using openMP API. Uses the libint library and test code "hartree-fock"
The test code can be found in tests/hartree-fock
Under pi_tests, there are simple openMP codes that I wrote that do not use libint. One uses synchronization, and the other uses PAD to solve the integral of 4.0/(1+x^2) from 0 to 1 equals pi.
Information about the libint library is below. The libint library is only used here and was not written by me.
Libint - a library for the evaluation of molecular integrals of many-body operators over Gaussian function
- project page: http://libint.valeyev.net/
- e-mail - [email protected]
See the wiki for installation and usage instructions.