comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-28 22:25:48 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

lparx definition for i-orbitals was gone with revision r23456 (my bad!)

Browse source
This commit is contained in:
Edoardo Apra 2014-12-04 01:33:53 +00:00
parent a9c26b50ce
commit dd96de4e66
1 changed files with 5 additions and 1 deletions
Download patch file Download diff file Expand all files Collapse all files

6
src/NWints/texas/texas_lpar.fh
View file

@ -9,11 +9,15 @@ c parameter (lpar1=22,lpar2=1771,lpar3=1540,lpar4=7,lpar5=21)
c up to ii,ii :
c parameter (lpar1=26,lpar2=2925,lpar3=2600,lpar4=8,lpar5=25)
cxx
integer lpar1,lpar2,lpar3,lpar4,lpar5
integer ndege,len,lensm
integer nfu,icoor,icool,ifrst,ilast,nia,nmxyz,npxyz
double precision hnia
parameter (lpar1=30,lpar2=4495,lpar3=4060,lpar4=9,lpar5=29)
cold parameter (lpar1=30,lpar2=4495,lpar3=4060,lpar4=9,lpar5=29)
parameter (lpar1=34,lpar2=6545,lpar3=5984,lpar4=10,lpar5=33)
c parameter (lpar1=38,lpar2=9139,lpar3=8436,lpar4=11,lpar5=37)
c parameter (lpar1=42,lpar2=12341,lpar3=11480,lpar4=12,lpar5=41)
common /logicd/ hnia(3,lpar2)
common /logic1/ ndege(lpar4)
common /logic2/ len(lpar4)