Fix changelog and warn message about B3LYP (pyscf#1790)

* fix warn message and changelog * update changelog for b3lyp update [ci skip] * update b3lyp warning
ivanbasov · Jul 13, 2023 · 4d98498 · 4d98498
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diff --git a/CHANGELOG b/CHANGELOG
@@ -8,7 +8,7 @@ PySCF 2.3.0 (2023-07-04)
   - TDDFT gradients for triplet states
   - Support complex-valued h1e in fci_slow.absorb_h1e
 * Improved
-  - Update B3LYP functional to make it behave the same to ORCA
+  - Update B3LYP functional to correspond to the original definition
   - Disable CLI parser by default
   - Accuracy and performance of RSDF, GDF and RSJK methods
   - get_lattice_Ls, and energy cutoff estimation

diff --git a/pyscf/dft/libxc.py b/pyscf/dft/libxc.py
@@ -770,7 +770,8 @@ def _xc_key_without_underscore(xc_keys):
 # Issue 1480
 if not hasattr(__config__, 'B3LYP_WITH_VWN5'):
     warnings.warn('Since PySCF-2.3, B3LYP (and B3P86) are changed to the VWN-RPA variant, '
-                  'the same to the B3LYP functional in Gaussian and ORCA (issue 1480). '
+                  'corresponding to the original definition by Stephens et al. (issue 1480) '
+                  'and the same as the B3LYP functional in Gaussian. '
                   'To restore the VWN5 definition, you can put the setting '
                   '"B3LYP_WITH_VWN5 = True" in pyscf_conf.py')
 elif getattr(__config__, 'B3LYP_WITH_VWN5', False):