Merge pull request #2563 from e-kwsm/vaspformat

fix: vaspformat
openbabel · Jul 14, 2023 · ef2b499 · ef2b499
2 parents f827a72 + d6fbb2f
commit ef2b499
Showing 1 changed file with 9 additions and 9 deletions.
diff --git a/src/formats/vaspformat.cpp b/src/formats/vaspformat.cpp
@@ -90,20 +90,20 @@ namespace OpenBabel {
 
         "Both VASP 4.x and 5.x POSCAR formats are supported.\n\n"
 
-	"By default, atoms are written out in the order they are present in the input\n"
-	"molecule. To sort by atomic number specify ``-xw``. To specify the sort\n"
-	"order, use the ``-xz`` option.\n\n"
+        "By default, atoms are written out in the order they are present in the input\n"
+        "molecule. To sort by atomic number specify ``-xw``. To specify the sort\n"
+        "order, use the ``-xz`` option.\n\n"
 
         "Read Options e.g. -as\n"
         "  s Output single bonds only\n"
         "  b Disable bonding entirely\n\n"
 
         "Write Options e.g. -x4\n"
-        " w  Sort atoms by atomic number\n"
-        " z <list of atoms>  Specify the order to write out atoms\n"
-	"       'atom1 atom2 ...': atom1 first, atom2 second, etc. The remaining\n"
-	"       atoms are written in the default order or (if ``-xw`` is specified)\n"
-	"       in order of atomic number.\n"
+        "  w  Sort atoms by atomic number\n"
+        "  z <list of atoms>  Specify the order to write out atoms\n"
+        "       'atom1 atom2 ...': atom1 first, atom2 second, etc. The remaining\n"
+        "       atoms are written in the default order or (if ``-xw`` is specified)\n"
+        "       in order of atomic number.\n"
         "  4 Write a POSCAR using the VASP 4.x specification.\n"
         "    The default is to use the VASP 5.x specification.\n\n"
         ;
@@ -120,7 +120,7 @@ namespace OpenBabel {
        READBINARY  WRITEBINARY  READXML  ZEROATOMSOK */
     unsigned int Flags() override
     {
-      return READONEONLY;
+      return READONEONLY | WRITEONEONLY;
     }
 
     int SkipObjects(int n, OBConversion* pConv) override