diff --git a/include/dftd_ncoord.h b/include/dftd_ncoord.h index f512ecc..326382c 100644 --- a/include/dftd_ncoord.h +++ b/include/dftd_ncoord.h @@ -49,7 +49,7 @@ extern int calc_distances( * @param realIdx Vector to store the real indices. * @return void */ -void initializeRealIdx(int nat, TVector &realIdx); +extern void initializeRealIdx(int nat, TVector &realIdx); /////////////////////////////////////////////////////////////////////////////// /////////////////////////////////////////////////////////////////////////////// diff --git a/scripts/README.md b/scripts/README.md index c6accc9..9da801f 100644 --- a/scripts/README.md +++ b/scripts/README.md @@ -1,4 +1,7 @@ # Scripts -Scripts for creating the ORCA source files. This mainly concatenates the corresponding files and adds headers and footers. Execute within the `scripts` directory. -This is only useful for ORCA developers. +**Important!** This is only useful for ORCA developers. + +Scripts for creating the ORCA source files. +This mainly concatenates the corresponding files and adds headers and footers. +Execute within the `scripts` directory.