LCPQ/quack
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1b3be7ae89
quack/input/weight

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debug numgrid
2020-03-25 12:56:28 +01:00
1 6
numgrid project done
2020-03-25 13:31:15 +01:00
S 3
1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
S 1
1 0.3258000 1.0000000
spinorbital G0T0 OK
2020-03-24 14:55:22 +01:00
S 1
numgrid project done
2020-03-25 13:31:15 +01:00
1 0.1027000 1.0000000
P 1
1 1.4070000 1.0000000
LIM
2020-03-18 11:10:21 +01:00
P 1
numgrid project done
2020-03-25 13:31:15 +01:00
1 0.3880000 1.0000000
debug numgrid
2020-03-25 12:56:28 +01:00
D 1
numgrid project done
2020-03-25 13:31:15 +01:00
1 1.0570000 1.0000000
2 6
numgrid is workin
2020-03-25 13:03:31 +01:00
S 3
numgrid project done
2020-03-25 13:31:15 +01:00
1 33.8700000 0.0060680
2 5.0950000 0.0453080
3 1.1590000 0.2028220
numgrid is workin
2020-03-25 13:03:31 +01:00
S 1
numgrid project done
2020-03-25 13:31:15 +01:00
1 0.3258000 1.0000000
S 1
1 0.1027000 1.0000000
P 1
1 1.4070000 1.0000000
numgrid is workin
2020-03-25 13:03:31 +01:00
P 1
numgrid project done
2020-03-25 13:31:15 +01:00
1 0.3880000 1.0000000
D 1
1 1.0570000 1.0000000
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