Release v5.5.0

sunqm · Sep 15, 2023 · 58becba · 58becba
1 parent 87635af
commit 58becba
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Showing 3 changed files with 10 additions and 8 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -1,7 +1,7 @@
 cmake_minimum_required (VERSION 3.5)
 project (cint C)
 set(cint_VERSION_MAJOR "5")
-set(cint_VERSION_MINOR "4")
+set(cint_VERSION_MINOR "5")
 set(cint_VERSION_PATCH "0")
 set(cint_VERSION_TWEAK "0")
 set(cint_VERSION "${cint_VERSION_MAJOR}.${cint_VERSION_MINOR}.${cint_VERSION_PATCH}")
@@ -97,11 +97,6 @@ if(WITH_RANGE_COULOMB)
   endif(WITH_POLYNOMIAL_FIT)
 endif(WITH_RANGE_COULOMB)
 
-if(WITH_EIG_ROOTFINDER)
-  add_definitions(-DWITH_EIG_ROOTFINDER)
-  message("Enabled linear equation solver with eigenvalue algorithm")
-endif(WITH_EIG_ROOTFINDER)
-
 if(WITH_COULOMB_ERF)
   set(cintSrc ${cintSrc} src/g2e_coulerf.c src/cint2e_coulerf.c)
   add_definitions(-DWITH_COULOMB_ERF)

diff --git a/ChangeLog b/ChangeLog
@@ -1,3 +1,10 @@
+Version 5.5.0 (2023-09-14):
+	* Fix memory leak issue in int4c1e
+	* Add polynomial root finder with eigenvalue algorithm
+	* Fitting Rys roots of SR integrals with Chebyshev polynomials
+	* New integrals related to LRESC
+	* Supports Gaussian model for int1e_grids
+
 Version 5.4.0 (2023-07-04):
 	* Add constant PTR_FRAC_CHARGE for QM/MM interface in pyscf
 

diff --git a/README.rst b/README.rst
@@ -1,8 +1,8 @@
 libcint
 =======
 
-version 5.4.0
-2023-07-04
+version 5.5.0
+2023-09-14
 
 
 What is libcint