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bug fixes detected using ASAN
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3 changed files with 5 additions and 5 deletions
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@ -40,8 +40,8 @@ c
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oprint_3c2eh = util_print('3c 2e integrals details', print_high)
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THRESHOLD=10.d0**(-itol2e)
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nproc=ga_nnodes()
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spherical_ao=bas_spherical(ao_bas_han)
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spherical_cd=bas_spherical(cd_bas_han)
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spherical_ao=bas_is_spherical(ao_bas_han)
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spherical_cd=bas_is_spherical(cd_bas_han)
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c
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c Determine the characteristics of the AO and CD Gaussian basis sets.
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c
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@ -254,8 +254,8 @@ c of a unit sphere. Spherical coordinates are used.
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enddo
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enddo
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call dgop(0,energy,1,'+')
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call dgop(0,grad,2*n,'+')
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call ga_dgop(0,energy,1,'+')
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call ga_dgop(0,grad,2*n,'+')
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call dscal(2*n,0.5d0,grad,1)
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end subroutine
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@ -14,7 +14,7 @@ C> interface that can simply be called from the Fortran code without
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C> having to pull any stunts.
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C>
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subroutine util_nwchem_srcdir(pathname)
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#define MAXLENGTH 256
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#define MAXLENGTH 255
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#ifdef NWCHEM_LONG_PATHS
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USE ISO_C_BINDING
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#endif
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