From aa3b49527e710d46465d73f0e951dea446c77a8f Mon Sep 17 00:00:00 2001 From: Nico Date: Mon, 27 Nov 2023 17:16:27 +0100 Subject: [PATCH] fix call to jastrow kernel --- qmctorch/wavefunction/slater_orbital_dependent_jastrow.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/qmctorch/wavefunction/slater_orbital_dependent_jastrow.py b/qmctorch/wavefunction/slater_orbital_dependent_jastrow.py index 3b365569..52ddcc6d 100644 --- a/qmctorch/wavefunction/slater_orbital_dependent_jastrow.py +++ b/qmctorch/wavefunction/slater_orbital_dependent_jastrow.py @@ -55,7 +55,7 @@ def __init__(self, mol, self.use_jastrow = True self.jastrow = JastrowFactorElectronElectron( - self.mol.nup, self.mol.ndown, jastrow_kernel, + jastrow_kernel, kernel_kwargs=jastrow_kernel_kwargs, orbital_dependent_kernel=True, number_of_orbitals=self.nmo_opt,