LCPQ/quack
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quack/input/basis

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remove comments in ACFDT
2020-06-14 20:51:02 +02:00
1 6
S 9
1 9.046000E+03 7.000000E-04
2 1.357000E+03 5.389000E-03
3 3.093000E+02 2.740600E-02
4 8.773000E+01 1.032070E-01
5 2.856000E+01 2.787230E-01
6 1.021000E+01 4.485400E-01
7 3.838000E+00 2.782380E-01
8 7.466000E-01 1.544000E-02
9 2.248000E-01 -2.864000E-03
S 9
1 9.046000E+03 -1.530000E-04
2 1.357000E+03 -1.208000E-03
3 3.093000E+02 -5.992000E-03
4 8.773000E+01 -2.454400E-02
5 2.856000E+01 -6.745900E-02
6 1.021000E+01 -1.580780E-01
7 3.838000E+00 -1.218310E-01
8 7.466000E-01 5.490030E-01
9 2.248000E-01 5.788150E-01
GIC functional working
2020-04-06 23:34:49 +02:00
S 1
remove comments in ACFDT
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1 2.248000E-01 1.000000E+00
P 4
1 1.355000E+01 3.991900E-02
2 2.917000E+00 2.171690E-01
3 7.973000E-01 5.103190E-01
4 2.185000E-01 4.622140E-01
spin in W
2020-06-14 13:04:16 +02:00
P 1
remove comments in ACFDT
2020-06-14 20:51:02 +02:00
1 2.185000E-01 1.000000E+00
spin in W
2020-06-14 13:04:16 +02:00
D 1
remove comments in ACFDT
2020-06-14 20:51:02 +02:00
1 8.170000E-01 1.0000000
2 6
S 9
1 9.046000E+03 7.000000E-04
2 1.357000E+03 5.389000E-03
3 3.093000E+02 2.740600E-02
4 8.773000E+01 1.032070E-01
5 2.856000E+01 2.787230E-01
6 1.021000E+01 4.485400E-01
7 3.838000E+00 2.782380E-01
8 7.466000E-01 1.544000E-02
9 2.248000E-01 -2.864000E-03
S 9
1 9.046000E+03 -1.530000E-04
2 1.357000E+03 -1.208000E-03
3 3.093000E+02 -5.992000E-03
4 8.773000E+01 -2.454400E-02
5 2.856000E+01 -6.745900E-02
6 1.021000E+01 -1.580780E-01
7 3.838000E+00 -1.218310E-01
8 7.466000E-01 5.490030E-01
9 2.248000E-01 5.788150E-01
spin in W
2020-06-14 13:04:16 +02:00
S 1
remove comments in ACFDT
2020-06-14 20:51:02 +02:00
1 2.248000E-01 1.000000E+00
P 4
1 1.355000E+01 3.991900E-02
2 2.917000E+00 2.171690E-01
3 7.973000E-01 5.103190E-01
4 2.185000E-01 4.622140E-01
spin in W
2020-06-14 13:04:16 +02:00
P 1
remove comments in ACFDT
2020-06-14 20:51:02 +02:00
1 2.185000E-01 1.000000E+00
spin in W
2020-06-14 13:04:16 +02:00
D 1
remove comments in ACFDT
2020-06-14 20:51:02 +02:00
1 8.170000E-01 1.0000000
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