From 15de24e7a229fbda4d12cc7fe82473b4b971092a Mon Sep 17 00:00:00 2001
From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com>
Date: Thu, 15 Jan 2026 21:09:06 +0000
Subject: [PATCH 1/2] Initial plan


From 631f4a2867883fed3f2a13550521e315a8568a04 Mon Sep 17 00:00:00 2001
From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com>
Date: Thu, 15 Jan 2026 21:12:05 +0000
Subject: [PATCH 2/2] Fix erroneous comment describing range-separated exx
 parameter beta

Changed 'alpha - beta' to 'alpha + beta' in the comment describing the
short-range HF coefficient. For LCWPBE with alpha=1 and beta=-1, only
the long-range (erf) part is kept, which means short-range = alpha + beta
= 1 + (-1) = 0.

Co-authored-by: wavefunction91 <6208701+wavefunction91@users.noreply.github.com>
---
 include/exchcxx/xc_functional.hpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/exchcxx/xc_functional.hpp b/include/exchcxx/xc_functional.hpp
index 8332c85..838e6e6 100644
--- a/include/exchcxx/xc_functional.hpp
+++ b/include/exchcxx/xc_functional.hpp
@@ -66,7 +66,7 @@ namespace ExchCXX {
 
 struct HybCoeffs {
   double alpha = 0.0; // the coefficient of HF part for global hybrid functionals or the coefficient of long-range HF part for range-separated functionals
-  double beta = 0.0; // The deduction of the short-range part. Following the notation of libxc. So the real coefficient of short-range HF is alpha - beta
+  double beta = 0.0; // The deduction of the short-range part. Following the notation of libxc. So the real coefficient of short-range HF is alpha + beta
   double omega = 0.0; // the range-separation parameter
 
   bool operator==(const HybCoeffs& other) const {