LCPQ/quack
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quack/input/basis

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debug pCCD
2020-03-22 15:20:42 +01:00
1 6
fix bug in eDFT
2020-03-23 08:53:19 +01:00
S 4
1 234.0000000 0.0025870
2 35.1600000 0.0195330
3 7.9890000 0.0909980
4 2.2120000 0.2720500
LIM
2020-03-18 11:10:21 +01:00
S 1
fix bug in eDFT
2020-03-23 08:53:19 +01:00
1 0.6669000 1.0000000
S 1
1 0.2089000 1.0000000
P 1
1 3.0440000 1.0000000
LIM
2020-03-18 11:10:21 +01:00
P 1
fix bug in eDFT
2020-03-23 08:53:19 +01:00
1 0.7580000 1.0000000
debug pCCD
2020-03-22 15:20:42 +01:00
D 1
fix bug in eDFT
2020-03-23 08:53:19 +01:00
1 1.9650000 1.0000000
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