diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/nwchem/sym_abelian.patch')
| -rwxr-xr-x | var/spack/repos/builtin/packages/nwchem/sym_abelian.patch | 18 |
1 files changed, 18 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/nwchem/sym_abelian.patch b/var/spack/repos/builtin/packages/nwchem/sym_abelian.patch new file mode 100755 index 0000000000..8db21440db --- /dev/null +++ b/var/spack/repos/builtin/packages/nwchem/sym_abelian.patch @@ -0,0 +1,18 @@ +Index: src/symmetry/sym_abelian.F +=================================================================== +--- src/symmetry/sym_abelian.F (revision 27901) ++++ src/symmetry/sym_abelian.F (revision 27902) +@@ -10,9 +10,11 @@ + c + character*8 group + integer nab, ind +- parameter (nab = 8) ++ parameter (nab = 18) + character*4 ab(nab) +- data ab/ 'C1','Cs','Ci','C2','D2','C2v','C2h','D2h'/ ++ data ab/ 'C1','Cs','Ci','C2','D2','C2v','C2h','D2h', ++ C 'C3','C4','C5','C6','C7','C8', ++ C 'C3h','C4h','C5h','C6h'/ + c + call sym_group_name(geom, group) + c |