mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-21 06:25:21 -04:00
97f303e6f8
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.
289 lines
6.3 KiB
Text
289 lines
6.3 KiB
Text
# $Id$
|
|
basis "Ga_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Ga s
|
|
1.3690033E+00 9.99917997631E-01
|
|
Ga p
|
|
1.1994069E+00 9.99880268352E-01
|
|
Ga d
|
|
1.5253821E+00 9.99786852991E-01
|
|
Ga d
|
|
5.0539708E-01 9.99929361752E-01
|
|
Ga f
|
|
3.9374394E+00 9.99293211416E-01
|
|
end
|
|
basis "Ge_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Ge s
|
|
1.5461753E+00 9.99907386843E-01
|
|
Ge p
|
|
1.3783228E+00 9.99862412176E-01
|
|
Ge d
|
|
1.8375790E+00 9.99743247912E-01
|
|
Ge d
|
|
6.3009513E-01 9.99911935621E-01
|
|
Ge f
|
|
4.6427129E+00 9.99166793146E-01
|
|
end
|
|
basis "As_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
As s
|
|
1.7359875E+00 9.99896019464E-01
|
|
As p
|
|
1.5721764E+00 9.99843066424E-01
|
|
As d
|
|
2.1613585E+00 9.99698031985E-01
|
|
As d
|
|
7.6004375E-01 9.99893776852E-01
|
|
As f
|
|
5.3479865E+00 9.99040429940E-01
|
|
end
|
|
basis "Se_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Se s
|
|
1.9376206E+00 9.99883944644E-01
|
|
Se p
|
|
1.7702028E+00 9.99823305572E-01
|
|
Se d
|
|
2.4987276E+00 9.99650925760E-01
|
|
Se d
|
|
8.9598920E-01 9.99874781315E-01
|
|
Se f
|
|
6.0532600E+00 9.98914121754E-01
|
|
end
|
|
basis "Br_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Br s
|
|
2.1507746E+00 9.99871180448E-01
|
|
Br p
|
|
1.9673705E+00 9.99803631753E-01
|
|
Br d
|
|
2.8508637E+00 9.99601765793E-01
|
|
Br d
|
|
1.0383609E+00 9.99854889174E-01
|
|
Br f
|
|
6.7585335E+00 9.98787868547E-01
|
|
end
|
|
basis "Kr_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Kr s
|
|
2.3750913E+00 9.99857748404E-01
|
|
Kr p
|
|
2.1574198E+00 9.99784669483E-01
|
|
Kr d
|
|
3.2185448E+00 9.99550444568E-01
|
|
Kr d
|
|
1.1874422E+00 9.99834061029E-01
|
|
Kr f
|
|
7.4638070E+00 9.98661670278E-01
|
|
end
|
|
basis "In_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
In s
|
|
9.1175079E-01 9.99945384170E-01
|
|
In p
|
|
8.4039014E-01 9.99916102275E-01
|
|
In d
|
|
1.0117775E+00 9.99858603295E-01
|
|
In d
|
|
3.5616355E-01 9.99950218009E-01
|
|
In f
|
|
1.7289618E+00 9.99689431390E-01
|
|
end
|
|
basis "Sn_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Sn s
|
|
1.0133249E+00 9.99939300298E-01
|
|
Sn p
|
|
9.4612519E-01 9.99905548263E-01
|
|
Sn d
|
|
1.1623384E+00 9.99837568182E-01
|
|
Sn d
|
|
4.2174340E-01 9.99941052658E-01
|
|
Sn f
|
|
1.9659948E+00 9.99646879687E-01
|
|
end
|
|
basis "Sb_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Sb s
|
|
1.1196249E+00 9.99932933504E-01
|
|
Sb p
|
|
1.0618502E+00 9.99893997535E-01
|
|
Sb d
|
|
1.3141999E+00 9.99816352894E-01
|
|
Sb d
|
|
4.8770339E-01 9.99931834470E-01
|
|
Sb f
|
|
2.2030279E+00 9.99604334222E-01
|
|
end
|
|
basis "Te_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Te s
|
|
1.2298459E+00 9.99926332006E-01
|
|
Te p
|
|
1.1797399E+00 9.99882231220E-01
|
|
Te d
|
|
1.4688800E+00 9.99794745447E-01
|
|
Te d
|
|
5.5474524E-01 9.99922465389E-01
|
|
Te f
|
|
2.4400610E+00 9.99561794993E-01
|
|
end
|
|
basis "I_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
I s
|
|
1.3448350E+00 9.99919445092E-01
|
|
I p
|
|
1.2986469E+00 9.99870363851E-01
|
|
I d
|
|
1.6272114E+00 9.99772629608E-01
|
|
I d
|
|
6.2325440E-01 9.99912891562E-01
|
|
I f
|
|
2.6770940E+00 9.99519261998E-01
|
|
end
|
|
basis "Xe_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Xe s
|
|
1.4634190E+00 9.99912343045E-01
|
|
Xe p
|
|
1.4177697E+00 9.99858475443E-01
|
|
Xe d
|
|
1.7897151E+00 9.99749932725E-01
|
|
Xe d
|
|
6.9347693E-01 9.99903078628E-01
|
|
Xe f
|
|
2.9141271E+00 9.99476735235E-01
|
|
end
|
|
basis "Hf_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Hf s
|
|
1.0677454E+00 9.99936040787E-01
|
|
Hf p
|
|
4.0980111E-01 9.99959085757E-01
|
|
Hf d
|
|
1.1649710E+00 9.99837200383E-01
|
|
end
|
|
basis "Ta_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Ta s
|
|
1.1436875E+00 9.99931492302E-01
|
|
Ta p
|
|
4.4623388E-01 9.99955448615E-01
|
|
Ta d
|
|
1.1734593E+00 9.99836014520E-01
|
|
end
|
|
basis "W_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
W s
|
|
1.2228791E+00 9.99926749269E-01
|
|
W p
|
|
4.8298797E-01 9.99951779441E-01
|
|
W d
|
|
1.2392813E+00 9.99826818942E-01
|
|
end
|
|
basis "Re_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Re s
|
|
1.3054091E+00 9.99921806368E-01
|
|
Re p
|
|
5.2039827E-01 9.99948044805E-01
|
|
Re d
|
|
1.3216892E+00 9.99815306672E-01
|
|
end
|
|
basis "Os_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Os s
|
|
1.3912146E+00 9.99916667383E-01
|
|
Os p
|
|
5.5845512E-01 9.99944245675E-01
|
|
Os d
|
|
1.4115187E+00 9.99802758121E-01
|
|
end
|
|
basis "Ir_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Ir s
|
|
1.4803329E+00 9.99911330079E-01
|
|
Ir p
|
|
5.9750705E-01 9.99940347258E-01
|
|
Ir d
|
|
1.5055675E+00 9.99789620754E-01
|
|
end
|
|
basis "Pt_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Pt s
|
|
1.5726304E+00 9.99905802483E-01
|
|
Pt p
|
|
6.3724541E-01 9.99936380373E-01
|
|
Pt d
|
|
1.6023488E+00 9.99776102317E-01
|
|
end
|
|
basis "Au_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Au s
|
|
1.6681143E+00 9.99900084170E-01
|
|
Au p
|
|
6.7766221E-01 9.99932345817E-01
|
|
Au d
|
|
1.7010646E+00 9.99762314317E-01
|
|
end
|
|
basis "Hg_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Hg s
|
|
1.7666705E+00 9.99894181974E-01
|
|
Hg p
|
|
7.1850221E-01 9.99928269072E-01
|
|
Hg d
|
|
1.8012011E+00 9.99748328543E-01
|
|
end
|
|
basis "Tl_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Tl s
|
|
8.8461372E-01 9.99947009590E-01
|
|
Tl p
|
|
8.0549699E-01 9.99919585241E-01
|
|
Tl d
|
|
6.9524060E-01 9.99902832177E-01
|
|
Tl d
|
|
2.5357650E-01 9.99964556017E-01
|
|
Tl f
|
|
1.4138469E+00 9.99746009852E-01
|
|
end
|
|
basis "Pb_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Pb s
|
|
9.6204098E-01 9.99942371978E-01
|
|
Pb p
|
|
8.7171799E-01 9.99912975225E-01
|
|
Pb d
|
|
7.9200114E-01 9.99889311364E-01
|
|
Pb d
|
|
2.9683292E-01 9.99958510226E-01
|
|
Pb f
|
|
1.5478311E+00 9.99721951817E-01
|
|
end
|
|
basis "Bi_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Bi s
|
|
1.0422614E+00 9.99937567147E-01
|
|
Bi p
|
|
9.5317500E-01 9.99904844596E-01
|
|
Bi d
|
|
8.8573771E-01 9.99876213704E-01
|
|
Bi d
|
|
3.3861777E-01 9.99952670233E-01
|
|
Bi f
|
|
1.6865442E+00 9.99697046773E-01
|
|
end
|
|
basis "Po_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Po s
|
|
1.1247044E+00 9.99932629269E-01
|
|
Po p
|
|
1.0360252E+00 9.99896575141E-01
|
|
Po d
|
|
9.7833425E-01 9.99863275919E-01
|
|
Po d
|
|
3.7974903E-01 9.99946921701E-01
|
|
Po f
|
|
1.8295243E+00 9.99671377843E-01
|
|
end
|
|
basis "At_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
At s
|
|
1.2090939E+00 9.99927574900E-01
|
|
At p
|
|
1.1183934E+00 9.99888354023E-01
|
|
At d
|
|
1.0707747E+00 9.99850360519E-01
|
|
At d
|
|
4.2066819E-01 9.99941202926E-01
|
|
At f
|
|
1.9765264E+00 9.99644989221E-01
|
|
end
|
|
basis "Rn_dyall_relcdz(fi/sf/sc)" SPHERICAL
|
|
Rn s
|
|
1.2947508E+00 9.99922444709E-01
|
|
Rn p
|
|
1.1986360E+00 9.99880345288E-01
|
|
Rn d
|
|
1.1636518E+00 9.99837384686E-01
|
|
Rn d
|
|
4.6165150E-01 9.99935475297E-01
|
|
Rn f
|
|
2.1274354E+00 9.99617901778E-01
|
|
end
|