LCPQ/quack
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quack/input/weight

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update stretched H2
2020-04-09 14:31:50 +02:00
1 5
GIC functional working
2020-04-06 23:34:49 +02:00
S 3
update stretched H2
2020-04-09 14:31:50 +02:00
1 13.0100000 0.0196850
2 1.9620000 0.1379770
3 0.4446000 0.4781480
guess
2020-03-31 23:33:48 +02:00
S 1
update stretched H2
2020-04-09 14:31:50 +02:00
1 0.1220000 1.0000000
GIC functional working
2020-04-06 23:34:49 +02:00
S 1
update stretched H2
2020-04-09 14:31:50 +02:00
1 0.0297400 1.0000000
GIC functional working
2020-04-06 23:34:49 +02:00
P 1
update stretched H2
2020-04-09 14:31:50 +02:00
1 0.7270000 1.0000000
guess
2020-03-31 23:33:48 +02:00
P 1
update stretched H2
2020-04-09 14:31:50 +02:00
1 0.1410000 1.0000000
2 5
GIC functional working
2020-04-06 23:34:49 +02:00
S 3
update stretched H2
2020-04-09 14:31:50 +02:00
1 13.0100000 0.0196850
2 1.9620000 0.1379770
3 0.4446000 0.4781480
GIC functional working
2020-04-06 23:34:49 +02:00
S 1
update stretched H2
2020-04-09 14:31:50 +02:00
1 0.1220000 1.0000000
GIC functional working
2020-04-06 23:34:49 +02:00
S 1
update stretched H2
2020-04-09 14:31:50 +02:00
1 0.0297400 1.0000000
GIC functional working
2020-04-06 23:34:49 +02:00
P 1
update stretched H2
2020-04-09 14:31:50 +02:00
1 0.7270000 1.0000000
GIC functional working
2020-04-06 23:34:49 +02:00
P 1
update stretched H2
2020-04-09 14:31:50 +02:00
1 0.1410000 1.0000000
hartree ind energy
2020-04-01 23:15:57 +02:00
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