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HvD: The nosegment keyword on the basis set has been eliminated from the code.

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This commit is contained in:
Huub Van Dam 2014-06-10 17:44:59 +00:00
parent a0acb53e4f
commit 1f8caed940
1 changed files with 0 additions and 205 deletions
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205
QA/tests/small_intchk/small_intchk.nw
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@ -98,54 +98,6 @@ H P
0.6401216923D+00 1.0
end
basis "nsp_cart_gc" nosegment cartesian
C S
0.1675097360D+02 0.56376 -0.14469
0.2888377460D+01 0.69771 -0.31014
0.6904575040D+00 -0.27058 0.37936
C S
0.1813976910D+00 1.0
C P
0.1675097360D+02 0.01728 0.56124
0.2888377460D+01 0.12274 0.14810
0.6904575040D+00 0.46512 0.02086
C P
0.1813976910D+00 1.0
C D
0.8000000000D+00 0.60130 -0.59826
0.41 -4.46009 2.22179
C F
0.1000000000D+01 1.0
C G
0.610000000 1.0
O S
0.1842936330D+02 0.74080 -0.22131
0.4047420810D+01 0.32649 -0.18875
0.1093836980D+01 -0.01862 -0.32132
O S
0.2906290230D+00 1.0
O P
0.1842936330D+02 0.03817 0.40991
0.4047420810D+01 0.19664 0.18120
0.1093836980D+01 0.44177 0.03455
O P
0.2906290230D+00 1.0
O D
0.8000000000D+00 0.01199 0.69309
0.42 0.17729 0.05585
O F
0.1100000000D+01 1.0
O G
0.620000000 1.0
H S
0.1873113696D+02 0.01273 0.02297
0.2825394365D+01 0.09086 -0.00804
0.6401216923D+00 0.37128 1.35954
H S
0.1612777588D+00 1.0
H P
0.6401216923D+00 1.0
end
basis "nsp_sph_ngc" segment spherical
C S
@ -197,163 +149,6 @@ H P
end
basis "nsp_sph_gc" nosegment spherical
C S
0.1675097360D+02 0.56376 -0.14469
0.2888377460D+01 0.69771 -0.31014
0.6904575040D+00 -0.27058 0.37936
C S
0.1813976910D+00 1.0
C P
0.1675097360D+02 0.01728 0.56124
0.2888377460D+01 0.12274 0.14810
0.6904575040D+00 0.46512 0.02086
C P
0.1813976910D+00 1.0
C D
0.8000000000D+00 0.60130 -0.59826
0.41 -4.46009 2.22179
C F
0.1000000000D+01 1.0
C G
0.610000000 1.0
O S
0.1842936330D+02 0.74080 -0.22131
0.4047420810D+01 0.32649 -0.18875
0.1093836980D+01 -0.01862 -0.32132
O S
0.2906290230D+00 1.0
O P
0.1842936330D+02 0.03817 0.40991
0.4047420810D+01 0.19664 0.18120
0.1093836980D+01 0.44177 0.03455
O P
0.2906290230D+00 1.0
O D
0.8000000000D+00 0.01199 0.69309
0.42 0.17729 0.05585
O F
0.1100000000D+01 1.0
O G
0.620000000 1.0
H S
0.1873113696D+02 0.01273 0.02297
0.2825394365D+01 0.09086 -0.00804
0.6401216923D+00 0.37128 1.35954
H S
0.1612777588D+00 1.0
H P
0.6401216923D+00 1.0
end
basis "sp_cart_ngc" nosegment cartesian
C SP
0.1675097360D+02 0.56376 0.01728
0.2888377460D+01 0.69771 0.12274
0.6904575040D+00 -0.27058 0.46512
C SP
0.1675097360D+02 -0.14469 0.56124
0.2888377460D+01 -0.31014 0.14810
0.6904575040D+00 0.37936 0.02086
C SP
0.1813976910D+00 1.0 1.0
C D
0.8000000000D+00 0.60130
0.41 -4.46009
C D
0.8000000000D+00 -0.59826
0.41 2.22179
C F
0.1000000000D+01 1.0
C G
0.610000000 1.0
O SP
0.1842936330D+02 0.74080 0.03817
0.4047420810D+01 0.32649 0.19664
0.1093836980D+01 -0.01862 0.44177
O SP
0.1842936330D+02 -0.22131 0.40991
0.4047420810D+01 -0.18875 0.18120
0.1093836980D+01 -0.32132 0.03455
O SP
0.2906290230D+00 1.0 1.0
O D
0.8000000000D+00 0.01199
0.42 0.17729
O D
0.8000000000D+00 0.69309
0.42 0.05585
O F
0.1100000000D+01 1.0
O G
0.620000000 1.0
H S
0.1873113696D+02 0.01273
0.2825394365D+01 0.09086
0.6401216923D+00 0.37128
H S
0.1873113696D+02 0.02297
0.2825394365D+01 -0.00804
0.6401216923D+00 1.35954
H S
0.1612777588D+00 1.0
H P
0.6401216923D+00 1.0
end
basis "sp_sph_ngc" nosegment spherical
C SP
0.1675097360D+02 0.56376 0.01728
0.2888377460D+01 0.69771 0.12274
0.6904575040D+00 -0.27058 0.46512
C SP
0.1675097360D+02 -0.14469 0.56124
0.2888377460D+01 -0.31014 0.14810
0.6904575040D+00 0.37936 0.02086
C SP
0.1813976910D+00 1.0 1.0
C D
0.8000000000D+00 0.60130
0.41 -4.46009
C D
0.8000000000D+00 -0.59826
0.41 2.22179
C F
0.1000000000D+01 1.0
C G
0.610000000 1.0
O SP
0.1842936330D+02 0.74080 0.03817
0.4047420810D+01 0.32649 0.19664
0.1093836980D+01 -0.01862 0.44177
O SP
0.1842936330D+02 -0.22131 0.40991
0.4047420810D+01 -0.18875 0.18120
0.1093836980D+01 -0.32132 0.03455
O SP
0.2906290230D+00 1.0 1.0
O D
0.8000000000D+00 0.01199
0.42 0.17729
O D
0.8000000000D+00 0.69309
0.42 0.05585
O F
0.1100000000D+01 1.0
O G
0.620000000 1.0
H S
0.1873113696D+02 0.01273
0.2825394365D+01 0.09086
0.6401216923D+00 0.37128
H S
0.1873113696D+02 0.02297
0.2825394365D+01 -0.00804
0.6401216923D+00 1.35954
H S
0.1612777588D+00 1.0
H P
0.6401216923D+00 1.0
end
geometry
C 0.00000000 0.00000000 -0.49605616