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Fixed python-test

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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
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4
python/test/test_api.py
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@ -28,12 +28,10 @@ fname = join('data', 'Alz_small.h5')
pq.trexio_read(ctx, fname) pq.trexio_read(ctx, fname)
print('trexio_read: passed') print('trexio_read: passed')
pq.set_electron_walk_num(ctx, walk_num)
mo_num = pq.get_mo_basis_mo_num(ctx) mo_num = pq.get_mo_basis_mo_num(ctx)
assert mo_num == 404 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 size_max = 5*walk_num*elec_num*mo_num