try to fix 3RDM for Molcas

sanshar · Oct 22, 2019 · 5eb4174 · 5eb4174
1 parent 78f8b13
commit 5eb4174
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/modules/npdm/threepdm_container.C b/modules/npdm/threepdm_container.C
@@ -345,7 +345,7 @@ void Threepdm_container::save_spatial_npdm_binary(const int &I, const int &J)
       ofs.close();
 #else
       FILE* f = fopen(file,"wb");
-      fwrite(spatial_threepdm.data(),sizeof(double),spatial_threepdm.size(),f);
+      fwrite( (char*)(spatial_threepdm.data),sizeof(double),spatial_threepdm.get_size(),f);
       fclose(f);
 #endif
     }