Density functional molecular orbital calculation.

PR:		11647
Submitted by:	Ryo MIYAMOTO <rmiya@cc.hirosaki-u.ac.jp>

1 files changed, 109 insertions, 0 deletions

diff --git a/biology/deft/pkg-plist b/biology/deft/pkg-plist
new file mode 100644
index 0000000..35ad781
--- /dev/null
+++ b/biology/deft/pkg-plist
@@ -0,0 +1,109 @@
+bin/DeFT.exec
+bin/DeFT
+share/doc/DeFT/README_Liability
+share/doc/DeFT/bases
+share/doc/DeFT/input.dvi
+share/doc/DeFT/input.ps
+share/doc/DeFT/input.tex
+share/doc/DeFT/install.dvi
+share/doc/DeFT/install.ps
+share/doc/DeFT/install.tex
+share/doc/DeFT/examples/1,3-difluorobenzene.dft
+share/doc/DeFT/examples/1,3-difluorobenzene.out
+share/doc/DeFT/examples/2-hydroxybicyclopentane.dft
+share/doc/DeFT/examples/2-hydroxybicyclopentane.out
+share/doc/DeFT/examples/README
+share/doc/DeFT/examples/acetone.dft
+share/doc/DeFT/examples/acetone.out
+share/doc/DeFT/examples/acetone_a.dft
+share/doc/DeFT/examples/acetone_a.out
+share/doc/DeFT/examples/acetone_b.dft
+share/doc/DeFT/examples/acetone_b.out
+share/doc/DeFT/examples/acetylene.dft
+share/doc/DeFT/examples/acetylene.out
+share/doc/DeFT/examples/allene.dft
+share/doc/DeFT/examples/allene.out
+share/doc/DeFT/examples/ammonia.dft
+share/doc/DeFT/examples/ammonia.out
+share/doc/DeFT/examples/benzaldehyde.dft
+share/doc/DeFT/examples/benzaldehyde.out
+share/doc/DeFT/examples/benzene.dft
+share/doc/DeFT/examples/benzene.out
+share/doc/DeFT/examples/bh4-.dft
+share/doc/DeFT/examples/bh4-.out
+share/doc/DeFT/examples/c_atom.dft
+share/doc/DeFT/examples/c_atom.out
+share/doc/DeFT/examples/ch2.dft
+share/doc/DeFT/examples/ch2.out
+share/doc/DeFT/examples/disilyl_ether.dft
+share/doc/DeFT/examples/disilyl_ether.out
+share/doc/DeFT/examples/ethane.dft
+share/doc/DeFT/examples/ethane.out
+share/doc/DeFT/examples/ethanol.dft
+share/doc/DeFT/examples/ethanol.out
+share/doc/DeFT/examples/ethylene_a.dft
+share/doc/DeFT/examples/ethylene_a.out
+share/doc/DeFT/examples/ethylene_b.dft
+share/doc/DeFT/examples/ethylene_b.out
+share/doc/DeFT/examples/f_atom.dft
+share/doc/DeFT/examples/f_atom.out
+share/doc/DeFT/examples/formaldehyde_a.dft
+share/doc/DeFT/examples/formaldehyde_a.out
+share/doc/DeFT/examples/formaldehyde_b.dft
+share/doc/DeFT/examples/formaldehyde_b.out
+share/doc/DeFT/examples/furan.dft
+share/doc/DeFT/examples/furan.out
+share/doc/DeFT/examples/hcn_a.dft
+share/doc/DeFT/examples/hcn_a.out
+share/doc/DeFT/examples/hcn_b.dft
+share/doc/DeFT/examples/hcn_b.out
+share/doc/DeFT/examples/hydroxide_a.dft
+share/doc/DeFT/examples/hydroxide_a.out
+share/doc/DeFT/examples/hydroxide_b.dft
+share/doc/DeFT/examples/hydroxide_b.out
+share/doc/DeFT/examples/hydroxide_c.dft
+share/doc/DeFT/examples/hydroxide_c.out
+share/doc/DeFT/examples/hydroxysulphane.dft
+share/doc/DeFT/examples/hydroxysulphane.out
+share/doc/DeFT/examples/malonaldehyde_a.dft
+share/doc/DeFT/examples/malonaldehyde_a.out
+share/doc/DeFT/examples/malonaldehyde_b.dft
+share/doc/DeFT/examples/malonaldehyde_b.out
+share/doc/DeFT/examples/malonaldehyde_c.dft
+share/doc/DeFT/examples/malonaldehyde_c.out
+share/doc/DeFT/examples/malonaldehyde_d.dft
+share/doc/DeFT/examples/malonaldehyde_d.out
+share/doc/DeFT/examples/malonaldehyde_e.dft
+share/doc/DeFT/examples/malonaldehyde_e.out
+share/doc/DeFT/examples/malonaldehyde_f.dft
+share/doc/DeFT/examples/malonaldehyde_f.out
+share/doc/DeFT/examples/malonaldehyde_g.dft
+share/doc/DeFT/examples/malonaldehyde_g.out
+share/doc/DeFT/examples/malonaldehyde_h.dft
+share/doc/DeFT/examples/malonaldehyde_h.out
+share/doc/DeFT/examples/malonaldehyde_i.dft
+share/doc/DeFT/examples/malonaldehyde_i.out
+share/doc/DeFT/examples/methanol.dft
+share/doc/DeFT/examples/methanol.out
+share/doc/DeFT/examples/methylamine.dft
+share/doc/DeFT/examples/methylamine.out
+share/doc/DeFT/examples/neopentane.dft
+share/doc/DeFT/examples/neopentane.out
+share/doc/DeFT/examples/nh4+.dft
+share/doc/DeFT/examples/nh4+.out
+share/doc/DeFT/examples/o2.dft
+share/doc/DeFT/examples/o2.out
+share/doc/DeFT/examples/peroxide_a.dft
+share/doc/DeFT/examples/peroxide_a.out
+share/doc/DeFT/examples/peroxide_b.dft
+share/doc/DeFT/examples/peroxide_b.out
+share/doc/DeFT/examples/peroxide_c.dft
+share/doc/DeFT/examples/peroxide_c.out
+share/doc/DeFT/examples/peroxide_d.dft
+share/doc/DeFT/examples/peroxide_d.out
+share/doc/DeFT/examples/peroxide_e.dft
+share/doc/DeFT/examples/peroxide_e.out
+share/doc/DeFT/examples/water.dft
+share/doc/DeFT/examples/water.out
+@dirrm share/doc/DeFT/examples
+@dirrm share/doc/DeFT