update man-page and usage instructions

grimme-lab · Feb 15, 2024 · 5d3648f · 5d3648f
1 parent 3f69f05
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diff --git a/man/xtb.1.adoc b/man/xtb.1.adoc
@@ -78,9 +78,12 @@ OPTIONS
 *--gfnff, --gff* ::
     specify parametrisation of GFN-FF
 
-*--tblite*::
+*--tblite* ::
     use tblite library as implementation for xTB
 
+*--ptb* ::
+    TODO
+
 *--spinpol*::
     enables spin-polarization for xTB methods (tblite required)
 
@@ -137,6 +140,9 @@ OPTIONS
 *--molden*::
     requests printout of molden file
 
+*--alpha/--raman*::
+    TODO
+
 *--dipole*::
     requests dipole printout
 

diff --git a/src/xhelp.f90 b/src/xhelp.f90
@@ -122,6 +122,9 @@ subroutine help(iunit)
    "--tblite,",&
    "    use tblite library as implementation for xTB",&
    "",&
+   "--ptb,",&
+   "    TODO",&
+   "",&
    "--spinpol,",&
    "    enables spin-polarization for xTB methods (tblite required)",&
    "",&
@@ -193,6 +196,9 @@ subroutine help(iunit)
    "--dipole",&
    "    requests dipole printout",&
    "",&
+   "--raman/--alpha,",&
+   "    TODO",&
+   "",&
    "--wbo",&
    "    requests Wiberg bond order printout",&
    "",&