Support Gaussian charge model for int1e_grids

sunqm · Sep 17, 2023 · c6934e1 · c6934e1
1 parent 4c0998d
commit c6934e1
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/pyscf/gto/mole.py b/pyscf/gto/mole.py
@@ -2953,7 +2953,7 @@ def set_rinv_zeta(self, zeta):
         '''Assume the charge distribution on the "rinv_origin".  zeta is the parameter
         to control the charge distribution: rho(r) = Norm * exp(-zeta * r^2).
         **Be careful** when call this function. It affects the behavior of
-        int1e_rinv_* functions.  Make sure to set it back to 0 after using it!
+        int1e_rinv_*, int1e_grids* functions.  Make sure to set it back to 0 after using it!
         '''
         self._env[PTR_RINV_ZETA] = zeta
         return self

diff --git a/pyscf/lib/CMakeLists.txt b/pyscf/lib/CMakeLists.txt
@@ -164,7 +164,7 @@ if(BUILD_LIBCINT)
 
   ExternalProject_Add(libcint
     GIT_REPOSITORY ${LIBCINT_GIT}
-    GIT_TAG v5.4.0
+    GIT_TAG v5.5.0
     PREFIX ${PROJECT_BINARY_DIR}/deps
     INSTALL_DIR ${PROJECT_SOURCE_DIR}/deps
     CMAKE_ARGS -DCMAKE_BUILD_TYPE=RELEASE