diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/nwchem/driver_smalleig.patch')
| -rwxr-xr-x | var/spack/repos/builtin/packages/nwchem/driver_smalleig.patch | 13 |
1 files changed, 13 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/nwchem/driver_smalleig.patch b/var/spack/repos/builtin/packages/nwchem/driver_smalleig.patch new file mode 100755 index 0000000000..24c777d78d --- /dev/null +++ b/var/spack/repos/builtin/packages/nwchem/driver_smalleig.patch @@ -0,0 +1,13 @@ +Index: src/driver/opt_drv.F +=================================================================== +--- src/driver/opt_drv.F (revision 28005) ++++ src/driver/opt_drv.F (revision 28006) +@@ -1641,7 +1641,7 @@ + double precision lattice(6), scaler(3) ! periodic scaling + double precision dum1,dum2,dum3 + double precision smalleig +- parameter (smalleig = 1.0d-4) ++ parameter (smalleig = 1.0d-8) + logical geom_print_zmatrix + external geom_print_zmatrix + logical ophigh |