diff options
Diffstat (limited to 'sci-chemistry/nwchem/files/nwchem-6.5-icosahedron_zcoord.patch')
| -rw-r--r-- | sci-chemistry/nwchem/files/nwchem-6.5-icosahedron_zcoord.patch | 12 |
1 files changed, 0 insertions, 12 deletions
diff --git a/sci-chemistry/nwchem/files/nwchem-6.5-icosahedron_zcoord.patch b/sci-chemistry/nwchem/files/nwchem-6.5-icosahedron_zcoord.patch deleted file mode 100644 index acd60d3b3..000000000 --- a/sci-chemistry/nwchem/files/nwchem-6.5-icosahedron_zcoord.patch +++ /dev/null @@ -1,12 +0,0 @@ -diff -Naurp nwchem.orig/src/geom/geom_hnd.F nwchem/src/geom/geom_hnd.F ---- nwchem.orig/src/geom/geom_hnd.F 2014-09-10 18:11:03.000000000 +0000 -+++ nwchem/src/geom/geom_hnd.F 2015-01-28 16:14:38.249027101 +0000 -@@ -1644,7 +1644,7 @@ c - nlnba=3*mxlnba - if (.not. zdone) goto 55555 ! attempt to recover - c -- if (nzvar .gt. 10*(max(6,3*nat-6))) then -+ if (nzvar .gt. 20*(max(6,3*nat-6))) then - c - c Made a z-matrix but it is asburdly big. Nothing yet to fix this - c |