Fix path to crystal output for testing

TREX-CoE · Nov 8, 2024 · 724d8b2 · 724d8b2
1 parent 439529b
commit 724d8b2
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
@@ -40,7 +40,7 @@ jobs:
           trexio convert-from -t pyscf     -i data/water.chk            -b hdf5  trexio_pyscf_h2o_sph.h5
           trexio convert-from -t pyscf     -i data/diamond_single_k.chk -b hdf5  trexio_pyscf_1k.h5
           trexio convert-from -t pyscf     -i data/diamond_k_grid.chk   -b hdf5  trexio_pyscf_Nk.h5
-          trexio convert-from -t crystal   -i crystal23_mgo_lda.out -m 1 -b hdf5 crystal.hdf5 
+          trexio convert-from -t crystal   -i data/crystal23_mgo_lda.out -m 1 -b hdf5 crystal.hdf5 
           trexio convert-from -t orca      -i data/h2o.json             -b hdf5  trexio_orca_h2o_sph.h5
           trexio convert-to -t cartesian -o trexio_orca_h2o.h5 trexio_orca_h2o_sph.h5
           trexio convert-to -t cartesian -o trexio_pyscf_h2o.h5 trexio_pyscf_h2o_sph.h5