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

balance parentheses

Browse source
This commit is contained in:
Bert de Jong 2013-03-05 22:15:59 +00:00
parent 67a8c6d5c6
commit 33ffba51e8
1 changed files with 2 additions and 2 deletions
Download patch file Download diff file Expand all files Collapse all files

4
src/nwdft/xc/xc_vdw_util.F
View file

@ -258,7 +258,7 @@ c BLYP
if(xfac(3).eq.1.0d0.and.cfac(2).eq.1.0d0) then
scales6 = 1.40d0
c PBE / PBE96
else if(xccomb(58) then
else if(xccomb(58)) then
scales6 = 0.70d0
c BP86
else if(xfac(3).eq.1.0d0.and.cfac(4).eq.1.d0) then
@ -281,7 +281,7 @@ c BLYP
if(xfac(3).eq.1.0d0.and.cfac(2).eq.1.0d0) then
scales6 = 1.20d0
c PBE / PBE96
else if(xccomb(58) then
else if(xccomb(58)) then
scales6 = 0.75d0
c TPSS
else if(xfac(21).eq.1.0d0.and.cfac(27).eq.1.0d0) then