mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-29 06:35:39 -04:00
fixed input for reading first mode
This commit is contained in:
parent
d02dd98953
commit
d1aba8ccd4
1 changed files with 2 additions and 0 deletions
|
|
@ -135,6 +135,8 @@ c --- determine first normal mode to use ---
|
|||
c --- not setting default here, it will be set later after
|
||||
c frequency calculation has been done so we know if we have
|
||||
c a linear molecule or not
|
||||
if (.not. rtdb_put(rtdb,'raman:first',mt_int,1,first))
|
||||
$ call errquit(pname//'rtdb put failed',0, RTDB_ERR)
|
||||
else if(inp_compare(.false.,'last',test)) then
|
||||
if(.not. inp_i(last)) ! FA-06-16-12 bug-fixed (BEF: first AFT: last)
|
||||
$ call errquit(pname//'missing value for last',911, INPUT_ERR)
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue