From 2c0cdfbd682133f8cd10136c2ba646eea2d58f24 Mon Sep 17 00:00:00 2001 From: Dominik Demuth Date: Sun, 9 Apr 2023 17:33:11 +0200 Subject: [PATCH] add constant to ffhs --- src/nmreval/distributions/intermolecular.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/nmreval/distributions/intermolecular.py b/src/nmreval/distributions/intermolecular.py index 8c279ef..31bfd88 100644 --- a/src/nmreval/distributions/intermolecular.py +++ b/src/nmreval/distributions/intermolecular.py @@ -31,7 +31,7 @@ class FFHS(Distribution): ret_val = np.array([quad(integrand, 0, np.infty, args=(o, tau0), epsabs=1e-12, epsrel=1e-12)[0] for o in omega]) - return ret_val + return ret_val * 54 / np.pi @staticmethod def susceptibility(omega, tau0, *args):