mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-21 06:25:21 -04:00
automatically be expanded to include useful information about the checkin (including the file's revision number). With the switch over to SVN this was lost because SVN only does this expansion if you explicitly ask for it (for every single file). I have added a script to the contrib directory that sets the appropriate property to get SVN to do this expansion. This script will make it easy to do this every time new source files are added. It is called svn_expand_Id, the script contains some comments that explain the issue and how it addresses this. This checkin sets this property for a subset of the relevant files (trying to commit all files at once failed with svn crashing). In future the script will only affect those files for which the property was not set before.
361 lines
7.5 KiB
Text
361 lines
7.5 KiB
Text
# $Id$
|
|
basis "Ga_dyall_nrctz" SPHERICAL
|
|
Ga s
|
|
4.4495278E+00 1.00000000000E+00
|
|
Ga s
|
|
9.9515777E-01 1.00000000000E+00
|
|
Ga p
|
|
4.5485271E+00 1.00000000000E+00
|
|
Ga p
|
|
9.4428051E-01 1.00000000000E+00
|
|
Ga d
|
|
1.6815421E+00 1.00000000000E+00
|
|
Ga d
|
|
7.2611435E-01 1.00000000000E+00
|
|
Ga f
|
|
7.5863264E+00 1.00000000000E+00
|
|
Ga f
|
|
2.1258560E+00 1.00000000000E+00
|
|
Ga g
|
|
4.7736081E+00 1.00000000000E+00
|
|
end
|
|
basis "Ge_dyall_nrctz" SPHERICAL
|
|
Ge s
|
|
5.0104084E+00 1.00000000000E+00
|
|
Ge s
|
|
1.1474044E+00 1.00000000000E+00
|
|
Ge p
|
|
5.0814032E+00 1.00000000000E+00
|
|
Ge p
|
|
1.0861601E+00 1.00000000000E+00
|
|
Ge d
|
|
2.0289092E+00 1.00000000000E+00
|
|
Ge d
|
|
8.9515843E-01 1.00000000000E+00
|
|
Ge f
|
|
8.7658611E+00 1.00000000000E+00
|
|
Ge f
|
|
2.5186853E+00 1.00000000000E+00
|
|
Ge g
|
|
5.5250225E+00 1.00000000000E+00
|
|
end
|
|
basis "As_dyall_nrctz" SPHERICAL
|
|
As s
|
|
5.6166006E+00 1.00000000000E+00
|
|
As s
|
|
1.3082283E+00 1.00000000000E+00
|
|
As p
|
|
5.5801351E+00 1.00000000000E+00
|
|
As p
|
|
1.2263471E+00 1.00000000000E+00
|
|
As d
|
|
2.3852808E+00 1.00000000000E+00
|
|
As d
|
|
1.0695923E+00 1.00000000000E+00
|
|
As f
|
|
9.9960358E+00 1.00000000000E+00
|
|
As f
|
|
2.9311611E+00 1.00000000000E+00
|
|
As g
|
|
6.3163324E+00 1.00000000000E+00
|
|
end
|
|
basis "Se_dyall_nrctz" SPHERICAL
|
|
Se s
|
|
6.2319626E+00 1.00000000000E+00
|
|
Se s
|
|
1.4792546E+00 1.00000000000E+00
|
|
Se p
|
|
5.9962921E+00 1.00000000000E+00
|
|
Se p
|
|
1.3500478E+00 1.00000000000E+00
|
|
Se d
|
|
2.7536836E+00 1.00000000000E+00
|
|
Se d
|
|
1.2506991E+00 1.00000000000E+00
|
|
Se f
|
|
1.1278558E+01 1.00000000000E+00
|
|
Se f
|
|
3.3636767E+00 1.00000000000E+00
|
|
Se g
|
|
7.1469962E+00 1.00000000000E+00
|
|
end
|
|
basis "Br_dyall_nrctz" SPHERICAL
|
|
Br s
|
|
6.7767202E+00 1.00000000000E+00
|
|
Br s
|
|
1.6429110E+00 1.00000000000E+00
|
|
Br p
|
|
6.2838720E+00 1.00000000000E+00
|
|
Br p
|
|
1.4401128E+00 1.00000000000E+00
|
|
Br d
|
|
3.1358975E+00 1.00000000000E+00
|
|
Br d
|
|
1.4392704E+00 1.00000000000E+00
|
|
Br f
|
|
1.2614862E+01 1.00000000000E+00
|
|
Br f
|
|
3.8166232E+00 1.00000000000E+00
|
|
Br g
|
|
8.0169843E+00 1.00000000000E+00
|
|
end
|
|
basis "Kr_dyall_nrctz" SPHERICAL
|
|
Kr s
|
|
7.3086259E+00 1.00000000000E+00
|
|
Kr s
|
|
1.8095771E+00 1.00000000000E+00
|
|
Kr p
|
|
6.4825339E+00 1.00000000000E+00
|
|
Kr p
|
|
1.4932238E+00 1.00000000000E+00
|
|
Kr d
|
|
3.5331892E+00 1.00000000000E+00
|
|
Kr d
|
|
1.6359175E+00 1.00000000000E+00
|
|
Kr f
|
|
1.4006031E+01 1.00000000000E+00
|
|
Kr f
|
|
4.2903137E+00 1.00000000000E+00
|
|
Kr g
|
|
8.9264074E+00 1.00000000000E+00
|
|
end
|
|
basis "In_dyall_nrctz" SPHERICAL
|
|
In s
|
|
2.2377773E+00 1.00000000000E+00
|
|
In s
|
|
6.0769241E-01 1.00000000000E+00
|
|
In p
|
|
3.1020378E+00 1.00000000000E+00
|
|
In p
|
|
6.9807754E-01 1.00000000000E+00
|
|
In d
|
|
1.0285663E+00 1.00000000000E+00
|
|
In d
|
|
4.7329185E-01 1.00000000000E+00
|
|
In f
|
|
3.0694805E+00 1.00000000000E+00
|
|
In f
|
|
1.0261353E+00 1.00000000000E+00
|
|
In g
|
|
2.0713904E+00 1.00000000000E+00
|
|
end
|
|
basis "Sn_dyall_nrctz" SPHERICAL
|
|
Sn s
|
|
2.6348035E+00 1.00000000000E+00
|
|
Sn s
|
|
7.1070074E-01 1.00000000000E+00
|
|
Sn p
|
|
3.3894983E+00 1.00000000000E+00
|
|
Sn p
|
|
7.8212125E-01 1.00000000000E+00
|
|
Sn d
|
|
1.1809160E+00 1.00000000000E+00
|
|
Sn d
|
|
5.5304069E-01 1.00000000000E+00
|
|
Sn f
|
|
3.4424514E+00 1.00000000000E+00
|
|
Sn f
|
|
1.1794042E+00 1.00000000000E+00
|
|
Sn g
|
|
2.3252215E+00 1.00000000000E+00
|
|
end
|
|
basis "Sb_dyall_nrctz" SPHERICAL
|
|
Sb s
|
|
2.3919061E+00 1.00000000000E+00
|
|
Sb s
|
|
6.9366604E-01 1.00000000000E+00
|
|
Sb p
|
|
3.6999388E+00 1.00000000000E+00
|
|
Sb p
|
|
8.7620882E-01 1.00000000000E+00
|
|
Sb d
|
|
1.3326745E+00 1.00000000000E+00
|
|
Sb d
|
|
6.3262090E-01 1.00000000000E+00
|
|
Sb f
|
|
3.8266822E+00 1.00000000000E+00
|
|
Sb f
|
|
1.3371789E+00 1.00000000000E+00
|
|
Sb g
|
|
2.5856852E+00 1.00000000000E+00
|
|
end
|
|
basis "Te_dyall_nrctz" SPHERICAL
|
|
Te s
|
|
2.9102550E+00 1.00000000000E+00
|
|
Te s
|
|
8.3353491E-01 1.00000000000E+00
|
|
Te p
|
|
4.0008910E+00 1.00000000000E+00
|
|
Te p
|
|
9.6982505E-01 1.00000000000E+00
|
|
Te d
|
|
1.4863085E+00 1.00000000000E+00
|
|
Te d
|
|
7.1321938E-01 1.00000000000E+00
|
|
Te f
|
|
4.2239349E+00 1.00000000000E+00
|
|
Te f
|
|
1.5000978E+00 1.00000000000E+00
|
|
Te g
|
|
2.8532022E+00 1.00000000000E+00
|
|
end
|
|
basis "I_dyall_nrctz" SPHERICAL
|
|
I s
|
|
3.1653995E+00 1.00000000000E+00
|
|
I s
|
|
9.1606871E-01 1.00000000000E+00
|
|
I p
|
|
4.2753011E+00 1.00000000000E+00
|
|
I p
|
|
1.0583675E+00 1.00000000000E+00
|
|
I d
|
|
1.6423093E+00 1.00000000000E+00
|
|
I d
|
|
7.9510039E-01 1.00000000000E+00
|
|
I f
|
|
4.6355116E+00 1.00000000000E+00
|
|
I f
|
|
1.6686312E+00 1.00000000000E+00
|
|
I g
|
|
3.1281200E+00 1.00000000000E+00
|
|
end
|
|
basis "Xe_dyall_nrctz" SPHERICAL
|
|
Xe s
|
|
3.2630109E+00 1.00000000000E+00
|
|
Xe s
|
|
9.5954248E-01 1.00000000000E+00
|
|
Xe p
|
|
4.5169954E+00 1.00000000000E+00
|
|
Xe p
|
|
1.1388830E+00 1.00000000000E+00
|
|
Xe d
|
|
1.8024254E+00 1.00000000000E+00
|
|
Xe d
|
|
8.7910531E-01 1.00000000000E+00
|
|
Xe f
|
|
5.0624477E+00 1.00000000000E+00
|
|
Xe f
|
|
1.8431359E+00 1.00000000000E+00
|
|
Xe g
|
|
3.4107185E+00 1.00000000000E+00
|
|
end
|
|
basis "Tl_dyall_nrctz" SPHERICAL
|
|
Tl s
|
|
2.0130158E+00 1.00000000000E+00
|
|
Tl s
|
|
5.4549288E-01 1.00000000000E+00
|
|
Tl p
|
|
2.3666796E+00 1.00000000000E+00
|
|
Tl p
|
|
5.6769629E-01 1.00000000000E+00
|
|
Tl d
|
|
1.0702770E+00 1.00000000000E+00
|
|
Tl d
|
|
4.8285746E-01 1.00000000000E+00
|
|
Tl f
|
|
2.0349333E+00 1.00000000000E+00
|
|
Tl f
|
|
7.4558057E-01 1.00000000000E+00
|
|
Tl g
|
|
1.5659721E+00 1.00000000000E+00
|
|
end
|
|
basis "Pb_dyall_nrctz" SPHERICAL
|
|
Pb s
|
|
2.1631818E+00 1.00000000000E+00
|
|
Pb s
|
|
6.0316488E-01 1.00000000000E+00
|
|
Pb p
|
|
2.5680084E+00 1.00000000000E+00
|
|
Pb p
|
|
6.3419984E-01 1.00000000000E+00
|
|
Pb d
|
|
1.1982886E+00 1.00000000000E+00
|
|
Pb d
|
|
5.5133550E-01 1.00000000000E+00
|
|
Pb f
|
|
2.2281690E+00 1.00000000000E+00
|
|
Pb f
|
|
8.4066782E-01 1.00000000000E+00
|
|
Pb g
|
|
1.7216738E+00 1.00000000000E+00
|
|
end
|
|
basis "Bi_dyall_nrctz" SPHERICAL
|
|
Bi s
|
|
2.3626089E+00 1.00000000000E+00
|
|
Bi s
|
|
6.6800472E-01 1.00000000000E+00
|
|
Bi p
|
|
2.7164830E+00 1.00000000000E+00
|
|
Bi p
|
|
6.9189550E-01 1.00000000000E+00
|
|
Bi d
|
|
1.3214825E+00 1.00000000000E+00
|
|
Bi d
|
|
6.1763462E-01 1.00000000000E+00
|
|
Bi f
|
|
2.4198740E+00 1.00000000000E+00
|
|
Bi f
|
|
9.3529538E-01 1.00000000000E+00
|
|
Bi g
|
|
1.8779158E+00 1.00000000000E+00
|
|
end
|
|
basis "Po_dyall_nrctz" SPHERICAL
|
|
Po s
|
|
2.3676462E+00 1.00000000000E+00
|
|
Po s
|
|
6.9588758E-01 1.00000000000E+00
|
|
Po p
|
|
2.9181728E+00 1.00000000000E+00
|
|
Po p
|
|
7.5906835E-01 1.00000000000E+00
|
|
Po d
|
|
1.4438370E+00 1.00000000000E+00
|
|
Po d
|
|
6.8351609E-01 1.00000000000E+00
|
|
Po f
|
|
2.6114838E+00 1.00000000000E+00
|
|
Po f
|
|
1.0300708E+00 1.00000000000E+00
|
|
Po g
|
|
2.0352834E+00 1.00000000000E+00
|
|
end
|
|
basis "At_dyall_nrctz" SPHERICAL
|
|
At s
|
|
2.5745658E+00 1.00000000000E+00
|
|
At s
|
|
7.5933835E-01 1.00000000000E+00
|
|
At p
|
|
3.0340584E+00 1.00000000000E+00
|
|
At p
|
|
8.0527480E-01 1.00000000000E+00
|
|
At d
|
|
1.5651885E+00 1.00000000000E+00
|
|
At d
|
|
7.4899059E-01 1.00000000000E+00
|
|
At f
|
|
2.8039794E+00 1.00000000000E+00
|
|
At f
|
|
1.1254094E+00 1.00000000000E+00
|
|
At g
|
|
2.1942320E+00 1.00000000000E+00
|
|
end
|
|
basis "Rn_dyall_nrctz" SPHERICAL
|
|
Rn s
|
|
2.6724635E+00 1.00000000000E+00
|
|
Rn s
|
|
7.9715010E-01 1.00000000000E+00
|
|
Rn p
|
|
3.1727682E+00 1.00000000000E+00
|
|
Rn p
|
|
8.5309972E-01 1.00000000000E+00
|
|
Rn d
|
|
1.6875554E+00 1.00000000000E+00
|
|
Rn d
|
|
8.1496818E-01 1.00000000000E+00
|
|
Rn f
|
|
2.9980606E+00 1.00000000000E+00
|
|
Rn f
|
|
1.2216082E+00 1.00000000000E+00
|
|
Rn g
|
|
2.3551108E+00 1.00000000000E+00
|
|
end
|