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mirror of https://github.com/TREX-CoE/trexio.git synced 2025-03-04 06:10:23 +01:00

Fixing tests

This commit is contained in:
Anthony Scemama 2024-12-29 23:40:32 +01:00
parent 2cea87a123
commit b303609e39

View File

@ -251,13 +251,15 @@ fn read(file_name: &str, back_end: BackEnd) {
let det_num = trex_file.read_determinant_num().unwrap();
assert_eq!(det_num, 50);
let mut det_list_ref = Vec::with_capacity(det_num);
// Determinants
let det_num = 50;
let mut det_occ_alpha = [ 0, 1, 2, 3, 75, 127, 128, 142 ];
let mut det_occ_beta = [ 0, 2, 3, 79, 80, 138 ];
let mut det_list_ref = Vec::with_capacity(det_num*6);
for i in 0..det_num {
let mut d = [0i64; 6];
for j in 0..6 {
d[j] = 6 * (i as i64) + (j as i64);
}
det_list_ref.push(Bitfield::from_vec(&d));
let (alpha, _) = Bitfield::from(3, &det_occ_alpha);
let (beta, _) = Bitfield::from(3, &det_occ_beta);
det_list_ref.push(Bitfield::from_alpha_beta(&alpha, &beta));
}
let n_buffers = 8;