bug fixes detected using ASAN

This commit is contained in:
Daniel Mejia-Rodriguez 2022-02-08 15:01:30 -05:00
parent 4900f72ad6
commit a982ab629f
3 changed files with 5 additions and 5 deletions

View file

@ -40,8 +40,8 @@ c
oprint_3c2eh = util_print('3c 2e integrals details', print_high)
THRESHOLD=10.d0**(-itol2e)
nproc=ga_nnodes()
spherical_ao=bas_spherical(ao_bas_han)
spherical_cd=bas_spherical(cd_bas_han)
spherical_ao=bas_is_spherical(ao_bas_han)
spherical_cd=bas_is_spherical(cd_bas_han)
c
c Determine the characteristics of the AO and CD Gaussian basis sets.
c

View file

@ -254,8 +254,8 @@ c of a unit sphere. Spherical coordinates are used.
enddo
enddo
call dgop(0,energy,1,'+')
call dgop(0,grad,2*n,'+')
call ga_dgop(0,energy,1,'+')
call ga_dgop(0,grad,2*n,'+')
call dscal(2*n,0.5d0,grad,1)
end subroutine

View file

@ -14,7 +14,7 @@ C> interface that can simply be called from the Fortran code without
C> having to pull any stunts.
C>
subroutine util_nwchem_srcdir(pathname)
#define MAXLENGTH 256
#define MAXLENGTH 255
#ifdef NWCHEM_LONG_PATHS
USE ISO_C_BINDING
#endif