Fix gridfile keyword (#489)

grimme-lab · Jun 10, 2021 · afa7bdf · afa7bdf
1 parent 4255e43
commit afa7bdf
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/man/xcontrol.7.adoc b/man/xcontrol.7.adoc
@@ -520,7 +520,7 @@ $write
 *esp*='bool'::
     calculate and print electrostatic potential, this will create
     a data file and a cosmo file
-*grid file*='file'::
+*gridfile*='file'::
     read gridpoints for ESP calculation from 'file'.
 *mos*='bool'::
     print molden file

diff --git a/src/set_module.f90 b/src/set_module.f90
@@ -1178,7 +1178,7 @@ subroutine set_write(env,key,val)
    case('orbital energies')
       if (getValue(env,val,ldum).and.set12) pr_eig = ldum
       set12 = .false.
-   case('gridfile')
+   case('gridfile', 'grid file')
        if (set13) esp_gridfile = val
       set13 = .false.
    case('stm')