diff --git a/ChangeLog b/ChangeLog index 20954d6..88d363f 100644 --- 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 index 0d8b7ab..43b652b 100644 --- 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 index 2c4c918..e75483b 100644 --- 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