remove unnecessary changes

pyscf · Dec 9, 2024 · 959bd09 · 959bd09
1 parent 7dca6ae
commit 959bd09
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Showing 2 changed files with 1 addition and 5 deletions.
diff --git a/gpu4pyscf/scf/j_engine.py b/gpu4pyscf/scf/j_engine.py
@@ -124,7 +124,7 @@ def get_j(mol, dm, hermi=1, vhfopt=None, omega=None, verbose=None):
     timing_collection = {}
     kern_counts = 0
     kern = libvhf_md.MD_build_j
-    libvhf_md.init_mdj_constant(ctypes.c_int(SHM_SIZE))
+
     for i in range(n_groups):
         for j in range(i+1):
             ij_shls = (l_ctr_bas_loc[i], l_ctr_bas_loc[i+1],

diff --git a/gpu4pyscf/scf/tests/test_scf_j_engine.py b/gpu4pyscf/scf/tests/test_scf_j_engine.py
@@ -44,7 +44,3 @@ def test_j_engine():
     assert abs(lib.fp(vj1) - -2327.4715195591784) < 1e-9
     assert abs(vj1 - ref).max() < 1e-9
 
-
-if __name__ == "__main__":
-    print("Full Tests for J engine")
-    test_j_engine()