[molpro-user] Print table without column headers

Martin Beseda martin.beseda at vsb.cz
Wed Oct 4 13:13:50 CEST 2017


Hello,

i'd like to print my tables without column headers. I've found the 
parameter "noprint" in the user guide 
<https://www.molpro.net/info/2015.1/doc/manual/node97.html>, so I tried 
to use it like this:


***,N2

memory,256,m;
gthresh,energy=1.0d-10


RRN=1.103816d0
RINI=1.0d0
RINC=-0.01d0
RNMB=20

$mybases=[cc-pVDZ, cc-pVTZ, cc-pVQZ, cc-pV5Z, cc-pV6Z, aug-cc-pVDZ, 
aug-cc-pVTZ, aug-cc-pVQZ, aug-cc-pV5Z, aug-cc-pV6Z]

!===============
PROC CalcEnergs
!===============
DO baseind=1,#mybases
DO i=1,RNMB
  !
  RR=(RINI+i*RINC)/2.0d0
  dist(i)=RR*2.0d0
  basis=mybases(baseind)
  !
  symmetry,x,y,z
  !
  geometry={
   ang
   N         0.0d0 0.0d0 -RR
   N         0.0d0 0.0d0  RR
  }
  !
  WF,NELEC=14
  rhf
  rccsd(t),maxit=200
  !
  energ(i)=energy
  !
  printbases(i)=$mybases(baseind)
ENDDO
  table,printbases,dist,energ
  print,table
  noprint,heading,title
  type,csv
  save,energs_n2
ENDDO
  !
ENDPROC

!=============
! CALCULATION
!=============
CalcEnergs
---

But the header is still included in the output file. What am I doing wrong?


Thank you very much.


Best regards,

Martin Beseda

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20171004/adc95548/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: smime.p7s
Type: application/pkcs7-signature
Size: 3423 bytes
Desc: S/MIME Cryptographic Signature
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20171004/adc95548/attachment.p7s>


More information about the Molpro-user mailing list