TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-11-03 20:54:09 +01:00
Code Issues Projects Releases Wiki Activity

Fixed python-test

Browse Source
This commit is contained in:
Anthony Scemama 2022-08-07 15:43:52 +02:00
parent 60ef0dc7a6
commit 0d9b748701
1 changed files with 1 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
python/test/test_api.py
View File

@ -28,12 +28,10 @@ fname = join('data', 'Alz_small.h5')
pq.trexio_read(ctx, fname)
print('trexio_read: passed')
pq.set_electron_walk_num(ctx, walk_num)
mo_num = pq.get_mo_basis_mo_num(ctx)
assert mo_num == 404
pq.set_electron_coord(ctx, 'T', coord)
pq.set_electron_coord(ctx, 'T', walk_num, coord)
size_max = 5*walk_num*elec_num*mo_num