Release 6.0.0

sunqm · Sep 24, 2023 · 2590f93 · 2590f93
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commit 2590f93
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Showing 3 changed files with 6 additions and 6 deletions.
diff --git a/ChangeLog b/ChangeLog
@@ -1,11 +1,11 @@
 Version 6.0.0 (2023-09-17):
-	* Fix memory leak issue in int4c1e
-	* Add polynomial root finder with eigenvalue algorithm
+	* Add polynomial root finder using the eigenvalue algorithm
 	* Fitting Rys roots of SR integrals with Chebyshev polynomials
-	* New integrals related to LRESC
+	* Remove GTG integrals which are erroneous in previous versions
+	* Remove coulerf integrals which has been covered by regular int2e functions
 
 Version 5.5.0 (2023-09-17):
-	* Supports Gaussian charge model for int1e_grids
+	* 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.md b/README.md
@@ -3,7 +3,7 @@ qcint (quick libcint)
 
 An optimized libcint branch for X86 platform
 
-version 5.5.0
+version 6.0.0
 2023-09-17
 
 

diff --git a/include/cint.h.in b/include/cint.h.in
@@ -23,7 +23,7 @@
  */
 
 #define QCINT_VERSION           @qcint_VERSION@
-#define CINT_SOVERSION          @cint_SOVERSION
+#define CINT_SOVERSION          @cint_SOVERSION@
 
 #cmakedefine CACHE_SIZE_I8
 #ifdef CACHE_SIZE_I8
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@@ Expand Up / @@ -3,7 +3,7 @@ qcint (quick libcint) @@
     An optimized libcint branch for X86 platform
-    version 5.5.0
+    version 6.0.0
 -09-17
@@ Expand Down @@