diff --git a/gpu4pyscf/solvent/grad/pcm.py b/gpu4pyscf/solvent/grad/pcm.py index 5876af48..d0f2576b 100644 --- a/gpu4pyscf/solvent/grad/pcm.py +++ b/gpu4pyscf/solvent/grad/pcm.py @@ -171,7 +171,7 @@ def get_dD_dS(surface, dF, with_S=True, with_D=False, stream=None): ctypes.c_int(n) ) if err != 0: - raise RuntimeError(f'Failed in generating PCM dD and dS matrices.') + raise RuntimeError('Failed in generating PCM dD and dS matrices.') dSii_dF = -charge_exp * (2.0/PI)**0.5 / switch_fun**2 dSii = cupy.expand_dims(dSii_dF, axis=(1,2)) * dF diff --git a/gpu4pyscf/solvent/pcm.py b/gpu4pyscf/solvent/pcm.py index 0ced9bfe..950f7ffd 100644 --- a/gpu4pyscf/solvent/pcm.py +++ b/gpu4pyscf/solvent/pcm.py @@ -240,7 +240,7 @@ def get_D_S(surface, with_S=True, with_D=False, stream=None): ctypes.c_int(n) ) if err != 0: - raise RuntimeError(f'Failed in generating PCM D and S matrices.') + raise RuntimeError('Failed in generating PCM D and S matrices.') return D, S class PCM(lib.StreamObject):