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

fixed typo...EJB

Browse source
This commit is contained in:
Eric Bylaska 2023-06-23 18:44:40 -07:00
parent 5db78321d8
commit cdca29cb79
1 changed files with 1 additions and 1 deletions
Download patch file Download diff file Expand all files Collapse all files

2
src/nwpw/pspw/cpsd/psi_lmbda_paw.f
View file

@ -102,7 +102,7 @@ c end if
write(*,*) ' +Try using a smaller time step'
write(*,*) ' +Gram-Schmidt being performed, spin:',ms
end if
if (control_gram_schmidt2() then
if (control_gram_schmidt2()) then
call Dneall_f_GramSchmidt(ms,psi2,npack1)
else
call Dneall_f_Sortho(ms,psi2,psi1,npack1)