From bc5010037a4146b960d5903ff86a025bda59bff6 Mon Sep 17 00:00:00 2001 From: Nico Date: Mon, 11 Dec 2023 16:02:24 +0100 Subject: [PATCH] fux default jastrow on gpu --- qmctorch/wavefunction/slater_jastrow.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/qmctorch/wavefunction/slater_jastrow.py b/qmctorch/wavefunction/slater_jastrow.py index 6f919e2f..edde7ae7 100644 --- a/qmctorch/wavefunction/slater_jastrow.py +++ b/qmctorch/wavefunction/slater_jastrow.py @@ -194,7 +194,9 @@ def init_jastrow(self, jastrow): # create a simple Pade Jastrow factor as default if jastrow == 'default': - self.jastrow = JastrowFactorElectronElectron(self.mol, PadeJastrowKernel) + self.jastrow = JastrowFactorElectronElectron(self.mol, + PadeJastrowKernel, + cuda=self.cuda) elif isinstance(jastrow, list): self.jastrow = CombineJastrow(jastrow)