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Commit b3c7e0e3 authored by Kevin Ryan's avatar Kevin Ryan Committed by Gao, Xiang
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Added ANI-1ccx model with a similar loader to Builtins. (#167) 



* Added ANI-1ccx model with a similar loader to Builtins.

* Apply suggestions from code review
Co-Authored-By: default avatarLeanAndMean <40122815+LeanAndMean@users.noreply.github.com>

* Fixed linter errors.
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torchani/resources/ani-1ccx_8x/train5/networks/ANN-O.nnf-l4.wparam 0 → 100644
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\ No newline at end of file
torchani/resources/ani-1ccx_8x/train5/output.opt 0 → 100644
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torchani/resources/ani-1ccx_8x/train5/rHCNO-5.2R_16-3.5A_a4-8.params 0 → 100644
View file @ b3c7e0e3
TM = 1
Rcr = 5.2000e+00
Rca = 3.5000e+00
EtaR = [1.6000000e+01]
ShfR = [9.0000000e-01,1.1687500e+00,1.4375000e+00,1.7062500e+00,1.9750000e+00,2.2437500e+00,2.5125000e+00,2.7812500e+00,3.0500000e+00,3.3187500e+00,3.5875000e+00,3.8562500e+00,4.1250000e+00,4.3937500e+00,4.6625000e+00,4.9312500e+00]
Zeta = [3.2000000e+01]
ShfZ = [1.9634954e-01,5.8904862e-01,9.8174770e-01,1.3744468e+00,1.7671459e+00,2.1598449e+00,2.5525440e+00,2.9452431e+00]
EtaA = [8.0000000e+00]
ShfA = [9.0000000e-01,1.5500000e+00,2.2000000e+00,2.8500000e+00]
Atyp = [H,C,N,O]
torchani/resources/ani-1ccx_8x/train5/sae_linfit.dat 0 → 100644
View file @ b3c7e0e3
H,0=-0.5991501324919538
C,1=-38.03750806057356
N,2=-54.67448347695333
O,3=-75.16043537275567
torchani/resources/ani-1ccx_8x/train5/tolerance.dat 0 → 100644
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torchani/resources/ani-1ccx_8x/train6/cost.dat 0 → 100644
View file @ b3c7e0e3
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1496 7.47121e-06 1.76682e-05 1.55435e-05 1.79769e+308 2.47397 inf
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1499 7.57991e-06 2.10297e-05 1.55435e-05 1.79769e+308 2.47397 inf
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1501 7.50831e-06 1.7418e-05 1.55435e-05 1.79769e+308 2.47397 inf
1502 7.50005e-06 3.61696e-05 1.55435e-05 1.79769e+308 2.47397 inf
1503 7.56132e-06 1.86604e-05 1.55435e-05 1.79769e+308 2.47397 inf
1504 7.57336e-06 1.89006e-05 1.55435e-05 1.79769e+308 2.47397 inf
1505 7.39445e-06 1.8879e-05 1.55435e-05 1.79769e+308 2.47397 inf
1506 7.59119e-06 1.90428e-05 1.55435e-05 1.79769e+308 2.47397 inf
1507 7.77094e-06 1.86396e-05 1.55435e-05 1.79769e+308 2.47397 inf
1508 7.49917e-06 1.73048e-05 1.55435e-05 1.79769e+308 2.47397 inf
1509 7.47795e-06 1.82903e-05 1.55435e-05 1.79769e+308 2.47397 inf
1510 7.30979e-06 1.62653e-05 1.55435e-05 1.79769e+308 2.47397 inf
1511 7.50247e-06 1.64352e-05 1.55435e-05 1.79769e+308 2.47397 inf
1512 7.63484e-06 1.71842e-05 1.55435e-05 1.79769e+308 2.47397 inf
1513 7.42766e-06 1.61109e-05 1.55435e-05 1.79769e+308 2.47397 inf
1514 7.49477e-06 1.66314e-05 1.55435e-05 1.79769e+308 2.47397 inf
1515 7.51637e-06 1.81776e-05 1.55435e-05 1.79769e+308 2.47397 inf
1516 7.72186e-06 1.73712e-05 1.55435e-05 1.79769e+308 2.47397 inf
1517 7.56574e-06 1.79421e-05 1.55435e-05 1.79769e+308 2.47397 inf
1518 7.54892e-06 1.70444e-05 1.55435e-05 1.79769e+308 2.47397 inf
1519 7.65537e-06 1.66136e-05 1.55435e-05 1.79769e+308 2.47397 inf
1520 7.8332e-06 1.91337e-05 1.55435e-05 1.79769e+308 2.47397 inf
1521 7.68355e-06 1.85658e-05 1.55435e-05 1.79769e+308 2.47397 inf
1522 7.38746e-06 1.93306e-05 1.55435e-05 1.79769e+308 2.47397 inf
1523 7.43962e-06 1.65703e-05 1.55435e-05 1.79769e+308 2.47397 inf
1524 7.37083e-06 1.69705e-05 1.55435e-05 1.79769e+308 2.47397 inf
1525 7.55646e-06 1.8937e-05 1.55435e-05 1.79769e+308 2.47397 inf
1526 7.55986e-06 1.71641e-05 1.55435e-05 1.79769e+308 2.47397 inf
1527 7.262e-06 1.85487e-05 1.55435e-05 1.79769e+308 2.47397 inf
1528 7.52803e-06 1.83534e-05 1.55435e-05 1.79769e+308 2.47397 inf
1529 7.55258e-06 1.71074e-05 1.55435e-05 1.79769e+308 2.47397 inf
1530 7.53407e-06 1.70384e-05 1.55435e-05 1.79769e+308 2.47397 inf
1531 7.4468e-06 1.78232e-05 1.55435e-05 1.79769e+308 2.47397 inf
1532 7.37897e-06 1.7594e-05 1.55435e-05 1.79769e+308 2.47397 inf
1533 7.59918e-06 1.80854e-05 1.55435e-05 1.79769e+308 2.47397 inf
1534 7.58681e-06 1.84393e-05 1.55435e-05 1.79769e+308 2.47397 inf
1535 7.45522e-06 1.7934e-05 1.55435e-05 1.79769e+308 2.47397 inf
1536 7.57764e-06 1.5741e-05 1.55435e-05 1.79769e+308 2.47397 inf
1537 7.58742e-06 1.85086e-05 1.55435e-05 1.79769e+308 2.47397 inf
1538 7.43559e-06 1.89266e-05 1.55435e-05 1.79769e+308 2.47397 inf
1539 7.53218e-06 1.90423e-05 1.55435e-05 1.79769e+308 2.47397 inf
1540 7.67114e-06 1.77322e-05 1.55435e-05 1.79769e+308 2.47397 inf
1541 7.57474e-06 1.88768e-05 1.55435e-05 1.79769e+308 2.47397 inf
1542 7.42767e-06 1.98352e-05 1.55435e-05 1.79769e+308 2.47397 inf
1543 7.58204e-06 1.73103e-05 1.55435e-05 1.79769e+308 2.47397 inf
1544 7.63074e-06 1.8515e-05 1.55435e-05 1.79769e+308 2.47397 inf
1545 7.89152e-06 1.85023e-05 1.55435e-05 1.79769e+308 2.47397 inf
1546 7.63218e-06 1.75835e-05 1.55435e-05 1.79769e+308 2.47397 inf
1547 7.3848e-06 1.87105e-05 1.55435e-05 1.79769e+308 2.47397 inf
1548 7.4903e-06 1.85472e-05 1.55435e-05 1.79769e+308 2.47397 inf
1549 7.54552e-06 1.71614e-05 1.55435e-05 1.79769e+308 2.47397 inf
1550 7.50442e-06 1.96802e-05 1.55435e-05 1.79769e+308 2.47397 inf
1551 7.40585e-06 3.5065e-05 1.55435e-05 1.79769e+308 2.47397 inf
1552 7.44446e-06 1.9932e-05 1.55435e-05 1.79769e+308 2.47397 inf
1553 7.43926e-06 1.84731e-05 1.55435e-05 1.79769e+308 2.47397 inf
1554 7.51604e-06 1.7147e-05 1.55435e-05 1.79769e+308 2.47397 inf
1555 7.48901e-06 1.71667e-05 1.55435e-05 1.79769e+308 2.47397 inf
1556 7.63481e-06 1.80866e-05 1.55435e-05 1.79769e+308 2.47397 inf
1557 7.59417e-06 1.90293e-05 1.55435e-05 1.79769e+308 2.47397 inf
1558 7.71329e-06 1.72687e-05 1.55435e-05 1.79769e+308 2.47397 inf
1559 7.54201e-06 1.739e-05 1.55435e-05 1.79769e+308 2.47397 inf
1560 7.69804e-06 1.69572e-05 1.55435e-05 1.79769e+308 2.47397 inf
1561 7.65754e-06 1.98815e-05 1.55435e-05 1.79769e+308 2.47397 inf
1562 7.45374e-06 1.91251e-05 1.55435e-05 1.79769e+308 2.47397 inf
1563 7.59847e-06 1.75122e-05 1.55435e-05 1.79769e+308 2.47397 inf
1564 7.64423e-06 1.80096e-05 1.55435e-05 1.79769e+308 2.47397 inf
1565 7.55319e-06 1.94849e-05 1.55435e-05 1.79769e+308 2.47397 inf
1566 7.44571e-06 1.94107e-05 1.55435e-05 1.79769e+308 2.47397 inf
1567 7.65837e-06 1.71859e-05 1.55435e-05 1.79769e+308 2.47397 inf
1568 7.64112e-06 1.7406e-05 1.55435e-05 1.79769e+308 2.47397 inf
1569 7.57471e-06 1.8814e-05 1.55435e-05 1.79769e+308 2.47397 inf
1570 7.36647e-06 1.73958e-05 1.55435e-05 1.79769e+308 2.47397 inf
1571 7.55706e-06 1.8045e-05 1.55435e-05 1.79769e+308 2.47397 inf
1572 7.60668e-06 1.80783e-05 1.55435e-05 1.79769e+308 2.47397 inf
1573 7.35275e-06 1.76245e-05 1.55435e-05 1.79769e+308 2.47397 inf
1574 7.4415e-06 1.83182e-05 1.55435e-05 1.79769e+308 2.47397 inf
1575 7.51402e-06 1.63588e-05 1.55435e-05 1.79769e+308 2.47397 inf
1576 7.74717e-06 1.95896e-05 1.55435e-05 1.79769e+308 2.47397 inf
1577 7.67723e-06 1.81494e-05 1.55435e-05 1.79769e+308 2.47397 inf
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1579 7.5269e-06 1.99102e-05 1.55435e-05 1.79769e+308 2.47397 inf
1580 7.40464e-06 1.70547e-05 1.55435e-05 1.79769e+308 2.47397 inf
1581 7.35629e-06 1.6586e-05 1.55435e-05 1.79769e+308 2.47397 inf
1582 7.67152e-06 1.72237e-05 1.55435e-05 1.79769e+308 2.47397 inf
1583 7.59061e-06 1.63423e-05 1.55435e-05 1.79769e+308 2.47397 inf
1584 7.5105e-06 1.70449e-05 1.55435e-05 1.79769e+308 2.47397 inf
1585 7.47345e-06 1.86611e-05 1.55435e-05 1.79769e+308 2.47397 inf
1586 7.50568e-06 1.73759e-05 1.55435e-05 1.79769e+308 2.47397 inf
1587 7.60386e-06 1.79832e-05 1.55435e-05 1.79769e+308 2.47397 inf
1588 7.52776e-06 1.66437e-05 1.55435e-05 1.79769e+308 2.47397 inf
1589 7.38945e-06 1.71043e-05 1.55435e-05 1.79769e+308 2.47397 inf
1590 7.31412e-06 1.84079e-05 1.55435e-05 1.79769e+308 2.47397 inf
1591 7.43484e-06 1.66151e-05 1.55435e-05 1.79769e+308 2.47397 inf
1592 7.43426e-06 1.63414e-05 1.55435e-05 1.79769e+308 2.47397 inf
1593 7.54835e-06 1.88955e-05 1.55435e-05 1.79769e+308 2.47397 inf
1594 7.67994e-06 1.84686e-05 1.55435e-05 1.79769e+308 2.47397 inf
1595 7.50424e-06 1.68929e-05 1.55435e-05 1.79769e+308 2.47397 inf
1596 7.44463e-06 1.86838e-05 1.55435e-05 1.79769e+308 2.47397 inf
1597 7.40382e-06 1.8017e-05 1.55435e-05 1.79769e+308 2.47397 inf
1598 7.3732e-06 1.71466e-05 1.55435e-05 1.79769e+308 2.47397 inf
1599 7.53834e-06 1.89977e-05 1.55435e-05 1.79769e+308 2.47397 inf
1600 7.43875e-06 1.77342e-05 1.55435e-05 1.79769e+308 2.47397 inf
1601 7.68862e-06 1.88919e-05 1.55435e-05 1.79769e+308 2.47397 inf
1602 7.51278e-06 1.78862e-05 1.55435e-05 1.79769e+308 2.47397 inf
1603 7.48048e-06 1.963e-05 1.55435e-05 1.79769e+308 2.47397 inf
1604 7.48676e-06 1.67132e-05 1.55435e-05 1.79769e+308 2.47397 inf
1605 7.49707e-06 1.79034e-05 1.55435e-05 1.79769e+308 2.47397 inf
1606 7.392e-06 1.8906e-05 1.55435e-05 1.79769e+308 2.47397 inf
1607 7.57698e-06 1.88594e-05 1.55435e-05 1.79769e+308 2.47397 inf
1608 7.66332e-06 1.80334e-05 1.55435e-05 1.79769e+308 2.47397 inf
1609 7.49141e-06 1.77601e-05 1.55435e-05 1.79769e+308 2.47397 inf
1610 7.56386e-06 1.76183e-05 1.55435e-05 1.79769e+308 2.47397 inf
1611 7.42582e-06 1.84018e-05 1.55435e-05 1.79769e+308 2.47397 inf
1612 7.55595e-06 1.75185e-05 1.55435e-05 1.79769e+308 2.47397 inf
1613 7.62762e-06 1.90628e-05 1.55435e-05 1.79769e+308 2.47397 inf
1614 7.57697e-06 1.82825e-05 1.55435e-05 1.79769e+308 2.47397 inf
1615 7.5969e-06 1.66769e-05 1.55435e-05 1.79769e+308 2.47397 inf
1616 7.87519e-06 1.90201e-05 1.55435e-05 1.79769e+308 2.47397 inf
1617 7.50286e-06 1.7253e-05 1.55435e-05 1.79769e+308 2.47397 inf
1618 7.54905e-06 1.90725e-05 1.55435e-05 1.79769e+308 2.47397 inf
1619 7.74171e-06 3.71768e-05 1.55435e-05 1.79769e+308 2.47397 inf
1620 7.58913e-06 1.82462e-05 1.55435e-05 1.79769e+308 2.47397 inf
1621 7.57103e-06 1.83183e-05 1.55435e-05 1.79769e+308 2.47397 inf
1622 7.60205e-06 1.82563e-05 1.55435e-05 1.79769e+308 2.47397 inf
1623 7.34602e-06 1.69166e-05 1.55435e-05 1.79769e+308 2.47397 inf
1624 7.49047e-06 1.66558e-05 1.55435e-05 1.79769e+308 2.47397 inf
1625 7.48545e-06 1.69677e-05 1.55435e-05 1.79769e+308 2.47397 inf
1626 7.67197e-06 1.85361e-05 1.55435e-05 1.79769e+308 2.47397 inf
1627 7.74437e-06 1.70191e-05 1.55435e-05 1.79769e+308 2.47397 inf
1628 7.62129e-06 1.77037e-05 1.55435e-05 1.79769e+308 2.47397 inf
1629 7.46689e-06 1.73716e-05 1.55435e-05 1.79769e+308 2.47397 inf
1630 7.3552e-06 1.98041e-05 1.55435e-05 1.79769e+308 2.47397 inf
1631 7.67893e-06 3.4635e-05 1.55435e-05 1.79769e+308 2.47397 inf
1632 7.76384e-06 1.75814e-05 1.55435e-05 1.79769e+308 2.47397 inf
1633 7.37523e-06 3.51721e-05 1.55435e-05 1.79769e+308 2.47397 inf
1634 7.37866e-06 1.78836e-05 1.55435e-05 1.79769e+308 2.47397 inf
1635 7.42105e-06 1.83652e-05 1.55435e-05 1.79769e+308 2.47397 inf
1636 7.57976e-06 1.84859e-05 1.55435e-05 1.79769e+308 2.47397 inf
1637 7.82202e-06 1.7035e-05 1.55435e-05 1.79769e+308 2.47397 inf
1638 7.73634e-06 1.90868e-05 1.55435e-05 1.79769e+308 2.47397 inf
1639 8.24991e-06 1.62244e-05 1.55435e-05 1.79769e+308 2.47397 inf
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1641 7.72019e-06 1.70296e-05 1.55435e-05 1.79769e+308 2.47397 inf
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1700 8.09218e-06 1.57957e-05 1.55435e-05 1.79769e+308 2.47397 inf
1701 7.87339e-06 1.72167e-05 1.55435e-05 1.79769e+308 2.47397 inf
1702 8.03454e-06 1.90549e-05 1.55435e-05 1.79769e+308 2.47397 inf
1703 8.12354e-06 1.66021e-05 1.55435e-05 1.79769e+308 2.47397 inf
1704 8.09846e-06 1.68625e-05 1.55435e-05 1.79769e+308 2.47397 inf
1705 8.07141e-06 1.69307e-05 1.55435e-05 1.79769e+308 2.47397 inf
1706 8.02078e-06 1.77865e-05 1.55435e-05 1.79769e+308 2.47397 inf
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1708 7.91756e-06 1.70392e-05 1.55435e-05 1.79769e+308 2.47397 inf
1709 7.93528e-06 1.69945e-05 1.55435e-05 1.79769e+308 2.47397 inf
1710 7.97287e-06 1.72414e-05 1.55435e-05 1.79769e+308 2.47397 inf
1711 8.02365e-06 1.74253e-05 1.55435e-05 1.79769e+308 2.47397 inf
1712 8.1282e-06 1.62271e-05 1.55435e-05 1.79769e+308 2.47397 inf
1713 7.84188e-06 1.61564e-05 1.55435e-05 1.79769e+308 2.47397 inf
1714 7.91806e-06 1.60192e-05 1.55435e-05 1.79769e+308 2.47397 inf
1715 8.17971e-06 1.58435e-05 1.55435e-05 1.79769e+308 2.47397 inf
1716 8.16222e-06 1.80135e-05 1.55435e-05 1.79769e+308 2.47397 inf
1717 8.13193e-06 1.67501e-05 1.55435e-05 1.79769e+308 2.47397 inf
1718 8.06254e-06 2.00955e-05 1.55435e-05 1.79769e+308 2.47397 inf
1719 7.97646e-06 3.37753e-05 1.55435e-05 1.79769e+308 2.47397 inf
1720 7.95146e-06 1.67972e-05 1.55435e-05 1.79769e+308 2.47397 inf
1721 7.9675e-06 1.81762e-05 1.55435e-05 1.79769e+308 2.47397 inf
1722 7.7953e-06 1.64242e-05 1.55435e-05 1.79769e+308 2.47397 inf
1723 7.75988e-06 1.69208e-05 1.55435e-05 1.79769e+308 2.47397 inf
1724 7.90186e-06 1.70602e-05 1.55435e-05 1.79769e+308 2.47397 inf
1725 7.8829e-06 1.77669e-05 1.55435e-05 1.79769e+308 2.47397 inf
1726 8.0525e-06 1.68234e-05 1.55435e-05 1.79769e+308 2.47397 inf
1727 8.05334e-06 1.71958e-05 1.55435e-05 1.79769e+308 2.47397 inf
1728 8.06782e-06 1.80229e-05 1.55435e-05 1.79769e+308 2.47397 inf
1729 7.93948e-06 1.86607e-05 1.55435e-05 1.79769e+308 2.47397 inf
1730 7.81458e-06 1.80565e-05 1.55435e-05 1.79769e+308 2.47397 inf
1731 7.91028e-06 1.75535e-05 1.55435e-05 1.79769e+308 2.47397 inf
1732 7.90253e-06 1.65205e-05 1.55435e-05 1.79769e+308 2.47397 inf
1733 7.87283e-06 1.81253e-05 1.55435e-05 1.79769e+308 2.47397 inf
1734 8.05187e-06 1.82829e-05 1.55435e-05 1.79769e+308 2.47397 inf
1735 7.94813e-06 1.58904e-05 1.55435e-05 1.79769e+308 2.47397 inf
1736 7.96374e-06 1.67326e-05 1.55435e-05 1.79769e+308 2.47397 inf
1737 7.86003e-06 1.59844e-05 1.55435e-05 1.79769e+308 2.47397 inf
1738 8.07029e-06 1.70346e-05 1.55435e-05 1.79769e+308 2.47397 inf
1739 8.13701e-06 3.41294e-05 1.55435e-05 1.79769e+308 2.47397 inf
1740 7.95719e-06 1.71038e-05 1.55435e-05 1.79769e+308 2.47397 inf
1741 8.20978e-06 1.79181e-05 1.55435e-05 1.79769e+308 2.47397 inf
1742 8.14723e-06 1.58204e-05 1.55435e-05 1.79769e+308 2.47397 inf
1743 7.643e-06 1.85737e-05 1.55435e-05 1.79769e+308 2.47397 inf
1744 7.8862e-06 1.76629e-05 1.55435e-05 1.79769e+308 2.47397 inf
1745 8.08309e-06 1.99258e-05 1.55435e-05 1.79769e+308 2.47397 inf
1746 8.14916e-06 1.68775e-05 1.55435e-05 1.79769e+308 2.47397 inf
1747 8.16165e-06 1.70287e-05 1.55435e-05 1.79769e+308 2.47397 inf
1748 8.02334e-06 1.88013e-05 1.55435e-05 1.79769e+308 2.47397 inf
1749 7.82814e-06 1.76607e-05 1.55435e-05 1.79769e+308 2.47397 inf
1750 8.09524e-06 1.67624e-05 1.55435e-05 1.79769e+308 2.47397 inf
1751 7.97927e-06 1.72545e-05 1.55435e-05 1.79769e+308 2.47397 inf
1752 7.97155e-06 1.78712e-05 1.55435e-05 1.79769e+308 2.47397 inf
1753 8.01153e-06 1.68892e-05 1.55435e-05 1.79769e+308 2.47397 inf
1754 8.03426e-06 1.72081e-05 1.55435e-05 1.79769e+308 2.47397 inf
1755 8.02356e-06 1.81425e-05 1.55435e-05 1.79769e+308 2.47397 inf
1756 7.99578e-06 1.59082e-05 1.55435e-05 1.79769e+308 2.47397 inf
1757 8.30218e-06 1.68053e-05 1.55435e-05 1.79769e+308 2.47397 inf
1758 8.07738e-06 1.66005e-05 1.55435e-05 1.79769e+308 2.47397 inf
1759 7.8599e-06 1.62818e-05 1.55435e-05 1.79769e+308 2.47397 inf
1760 7.92294e-06 1.84486e-05 1.55435e-05 1.79769e+308 2.47397 inf
1761 8.30697e-06 1.76429e-05 1.55435e-05 1.79769e+308 2.47397 inf
1762 8.16723e-06 1.63759e-05 1.55435e-05 1.79769e+308 2.47397 inf
1763 7.9966e-06 1.59428e-05 1.55435e-05 1.79769e+308 2.47397 inf
1764 8.032e-06 1.8385e-05 1.55435e-05 1.79769e+308 2.47397 inf
1765 8.29448e-06 3.57274e-05 1.55435e-05 1.79769e+308 2.47397 inf
1766 7.92633e-06 1.80496e-05 1.55435e-05 1.79769e+308 2.47397 inf
1767 8.02326e-06 1.62041e-05 1.55435e-05 1.79769e+308 2.47397 inf
1768 8.12909e-06 1.81654e-05 1.55435e-05 1.79769e+308 2.47397 inf
1769 8.11549e-06 1.70314e-05 1.55435e-05 1.79769e+308 2.47397 inf
1770 8.04436e-06 1.69381e-05 1.55435e-05 1.79769e+308 2.47397 inf
1771 8.2697e-06 1.82582e-05 1.55435e-05 1.79769e+308 2.47397 inf
1772 7.86096e-06 1.66546e-05 1.55435e-05 1.79769e+308 2.47397 inf
1773 8.11625e-06 1.8038e-05 1.55435e-05 1.79769e+308 2.47397 inf
1774 7.86301e-06 1.85573e-05 1.55435e-05 1.79769e+308 2.47397 inf
1775 8.03148e-06 1.93816e-05 1.55435e-05 1.79769e+308 2.47397 inf
1776 8.20053e-06 1.68279e-05 1.55435e-05 1.79769e+308 2.47397 inf
1777 8.00602e-06 1.79563e-05 1.55435e-05 1.79769e+308 2.47397 inf
1778 8.19627e-06 1.70664e-05 1.55435e-05 1.79769e+308 2.47397 inf
1779 8.2304e-06 1.65537e-05 1.55435e-05 1.79769e+308 2.47397 inf
1780 7.85755e-06 1.78264e-05 1.55435e-05 1.79769e+308 2.47397 inf
1781 8.09361e-06 1.61861e-05 1.55435e-05 1.79769e+308 2.47397 inf
1782 7.91974e-06 1.87997e-05 1.55435e-05 1.79769e+308 2.47397 inf
1783 7.84713e-06 1.75479e-05 1.55435e-05 1.79769e+308 2.47397 inf
1784 8.02495e-06 1.68626e-05 1.55435e-05 1.79769e+308 2.47397 inf
1785 7.85477e-06 1.77195e-05 1.55435e-05 1.79769e+308 2.47397 inf
1786 7.87521e-06 1.75428e-05 1.55435e-05 1.79769e+308 2.47397 inf
1787 7.97481e-06 1.63995e-05 1.55435e-05 1.79769e+308 2.47397 inf
1788 7.99153e-06 1.81077e-05 1.55435e-05 1.79769e+308 2.47397 inf
1789 8.32743e-06 1.60745e-05 1.55435e-05 1.79769e+308 2.47397 inf
1790 8.10783e-06 1.8201e-05 1.55435e-05 1.79769e+308 2.47397 inf
1791 7.8805e-06 1.95125e-05 1.55435e-05 1.79769e+308 2.47397 inf
1792 8.05933e-06 1.78275e-05 1.55435e-05 1.79769e+308 2.47397 inf
1793 7.75802e-06 1.73851e-05 1.55435e-05 1.79769e+308 2.47397 inf
1794 8.11778e-06 1.69337e-05 1.55435e-05 1.79769e+308 2.47397 inf
1795 8.06764e-06 1.64571e-05 1.55435e-05 1.79769e+308 2.47397 inf
1796 8.2775e-06 1.84643e-05 1.55435e-05 1.79769e+308 2.47397 inf
1797 8.06602e-06 1.63981e-05 1.55435e-05 1.79769e+308 2.47397 inf
1798 8.02494e-06 1.74239e-05 1.55435e-05 1.79769e+308 2.47397 inf
1799 8.18819e-06 1.63138e-05 1.55435e-05 1.79769e+308 2.47397 inf
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1801 8.08736e-06 1.7518e-05 1.55435e-05 1.79769e+308 2.47397 inf
1802 8.0105e-06 1.59293e-05 1.55435e-05 1.79769e+308 2.47397 inf
1803 8.00406e-06 1.67855e-05 1.55435e-05 1.79769e+308 2.47397 inf
1804 8.07211e-06 1.82801e-05 1.55435e-05 1.79769e+308 2.47397 inf
1805 7.99906e-06 1.70584e-05 1.55435e-05 1.79769e+308 2.47397 inf
1806 8.14175e-06 1.62499e-05 1.55435e-05 1.79769e+308 2.47397 inf
1807 7.82661e-06 1.62523e-05 1.55435e-05 1.79769e+308 2.47397 inf
1808 8.13711e-06 1.83844e-05 1.55435e-05 1.79769e+308 2.47397 inf
1809 8.26952e-06 1.62529e-05 1.55435e-05 1.79769e+308 2.47397 inf
1810 8.07157e-06 1.7307e-05 1.55435e-05 1.79769e+308 2.47397 inf
1811 8.16498e-06 1.76668e-05 1.55435e-05 1.79769e+308 2.47397 inf
1812 8.06844e-06 1.63416e-05 1.55435e-05 1.79769e+308 2.47397 inf
1813 8.00531e-06 1.82973e-05 1.55435e-05 1.79769e+308 2.47397 inf
1814 8.18148e-06 1.70557e-05 1.55435e-05 1.79769e+308 2.47397 inf
1815 8.17751e-06 1.83817e-05 1.55435e-05 1.79769e+308 2.47397 inf
1816 8.03018e-06 1.63704e-05 1.55435e-05 1.79769e+308 2.47397 inf
1817 8.12702e-06 1.6309e-05 1.55435e-05 1.79769e+308 2.47397 inf
1818 8.21521e-06 1.60803e-05 1.55435e-05 1.79769e+308 2.47397 inf
1819 8.02844e-06 1.78073e-05 1.55435e-05 1.79769e+308 2.47397 inf
1820 8.20954e-06 1.80838e-05 1.55435e-05 1.79769e+308 2.47397 inf
1821 8.14845e-06 2.02555e-05 1.55435e-05 1.79769e+308 2.47397 inf
1822 8.06336e-06 1.56845e-05 1.55435e-05 1.79769e+308 2.47397 inf
1823 8.04762e-06 1.75876e-05 1.55435e-05 1.79769e+308 2.47397 inf
1824 7.97199e-06 1.9448e-05 1.55435e-05 1.79769e+308 2.47397 inf
1825 8.1307e-06 1.81795e-05 1.55435e-05 1.79769e+308 2.47397 inf
1826 8.14861e-06 1.87899e-05 1.55435e-05 1.79769e+308 2.47397 inf
1827 8.04182e-06 1.65037e-05 1.55435e-05 1.79769e+308 2.47397 inf
1828 8.03879e-06 1.87832e-05 1.55435e-05 1.79769e+308 2.47397 inf
1829 8.18232e-06 1.66149e-05 1.55435e-05 1.79769e+308 2.47397 inf
1830 7.91944e-06 1.74943e-05 1.55435e-05 1.79769e+308 2.47397 inf
1831 7.99964e-06 1.92821e-05 1.55435e-05 1.79769e+308 2.47397 inf
1832 8.18687e-06 1.719e-05 1.55435e-05 1.79769e+308 2.47397 inf
1833 8.03829e-06 1.80736e-05 1.55435e-05 1.79769e+308 2.47397 inf
1834 8.52509e-06 1.76529e-05 1.55435e-05 1.79769e+308 2.47397 inf
1835 8.09169e-06 1.74863e-05 1.55435e-05 1.79769e+308 2.47397 inf
1836 8.15419e-06 1.66032e-05 1.55435e-05 1.79769e+308 2.47397 inf
1837 8.08498e-06 1.79527e-05 1.55435e-05 1.79769e+308 2.47397 inf
1838 8.15155e-06 1.79018e-05 1.55435e-05 1.79769e+308 2.47397 inf
1839 8.80826e-06 1.60203e-05 1.55435e-05 1.79769e+308 2.47397 inf
1840 8.95911e-06 1.80028e-05 1.55435e-05 1.79769e+308 2.47397 inf
1841 8.74371e-06 1.59476e-05 1.55435e-05 1.79769e+308 2.47397 inf
1842 8.47606e-06 1.80308e-05 1.55435e-05 1.79769e+308 2.47397 inf
1843 8.32851e-06 1.94387e-05 1.55435e-05 1.79769e+308 2.47397 inf
1844 8.53797e-06 1.64119e-05 1.55435e-05 1.79769e+308 2.47397 inf
1845 8.78038e-06 1.72762e-05 1.55435e-05 1.79769e+308 2.47397 inf
1846 8.60511e-06 1.92765e-05 1.55435e-05 1.79769e+308 2.47397 inf
1847 8.34704e-06 1.57873e-05 1.55435e-05 1.79769e+308 2.47397 inf
1848 8.56928e-06 1.76587e-05 1.55435e-05 1.79769e+308 2.47397 inf
1849 8.69983e-06 1.48836e-05 1.55435e-05 1.79769e+308 2.47397 inf
1850 8.39306e-06 1.75935e-05 1.48836e-05 1.79769e+308 2.42088 inf
1851 8.4645e-06 1.70005e-05 1.48836e-05 1.79769e+308 2.42088 inf
1852 8.67137e-06 1.61765e-05 1.48836e-05 1.79769e+308 2.42088 inf
1853 8.68476e-06 1.81433e-05 1.48836e-05 1.79769e+308 2.42088 inf
1854 8.75585e-06 1.72338e-05 1.48836e-05 1.79769e+308 2.42088 inf
1855 8.40988e-06 1.66881e-05 1.48836e-05 1.79769e+308 2.42088 inf
1856 8.57008e-06 1.60353e-05 1.48836e-05 1.79769e+308 2.42088 inf
1857 8.65701e-06 1.79195e-05 1.48836e-05 1.79769e+308 2.42088 inf
1858 8.47257e-06 1.75806e-05 1.48836e-05 1.79769e+308 2.42088 inf
1859 8.71265e-06 1.73871e-05 1.48836e-05 1.79769e+308 2.42088 inf
1860 8.5557e-06 1.59483e-05 1.48836e-05 1.79769e+308 2.42088 inf
1861 8.33302e-06 1.64506e-05 1.48836e-05 1.79769e+308 2.42088 inf
1862 8.54366e-06 1.76534e-05 1.48836e-05 1.79769e+308 2.42088 inf
1863 8.51589e-06 1.55776e-05 1.48836e-05 1.79769e+308 2.42088 inf
1864 8.54804e-06 1.64573e-05 1.48836e-05 1.79769e+308 2.42088 inf
1865 8.62368e-06 1.76958e-05 1.48836e-05 1.79769e+308 2.42088 inf
1866 8.54458e-06 1.70267e-05 1.48836e-05 1.79769e+308 2.42088 inf
1867 8.42691e-06 1.4968e-05 1.48836e-05 1.79769e+308 2.42088 inf
1868 8.20673e-06 1.535e-05 1.48836e-05 1.79769e+308 2.42088 inf
1869 8.36159e-06 1.67011e-05 1.48836e-05 1.79769e+308 2.42088 inf
1870 8.48891e-06 1.61345e-05 1.48836e-05 1.79769e+308 2.42088 inf
1871 8.32195e-06 1.60407e-05 1.48836e-05 1.79769e+308 2.42088 inf
1872 8.41802e-06 1.70921e-05 1.48836e-05 1.79769e+308 2.42088 inf
1873 8.54359e-06 1.7008e-05 1.48836e-05 1.79769e+308 2.42088 inf
1874 8.29771e-06 1.52501e-05 1.48836e-05 1.79769e+308 2.42088 inf
1875 8.35859e-06 1.68548e-05 1.48836e-05 1.79769e+308 2.42088 inf
1876 8.72147e-06 1.67086e-05 1.48836e-05 1.79769e+308 2.42088 inf
1877 8.62962e-06 1.5782e-05 1.48836e-05 1.79769e+308 2.42088 inf
1878 8.69824e-06 1.53704e-05 1.48836e-05 1.79769e+308 2.42088 inf
1879 8.64127e-06 1.6901e-05 1.48836e-05 1.79769e+308 2.42088 inf
1880 8.97226e-06 1.6686e-05 1.48836e-05 1.79769e+308 2.42088 inf
1881 8.61763e-06 3.74478e-05 1.48836e-05 1.79769e+308 2.42088 inf
1882 8.27782e-06 1.64818e-05 1.48836e-05 1.79769e+308 2.42088 inf
1883 8.81979e-06 3.66845e-05 1.48836e-05 1.79769e+308 2.42088 inf
1884 8.39417e-06 1.76652e-05 1.48836e-05 1.79769e+308 2.42088 inf
1885 8.59712e-06 1.55936e-05 1.48836e-05 1.79769e+308 2.42088 inf
1886 8.61287e-06 1.59733e-05 1.48836e-05 1.79769e+308 2.42088 inf
1887 8.63652e-06 1.63731e-05 1.48836e-05 1.79769e+308 2.42088 inf
1888 8.45529e-06 1.64751e-05 1.48836e-05 1.79769e+308 2.42088 inf
1889 8.84821e-06 3.28102e-05 1.48836e-05 1.79769e+308 2.42088 inf
1890 8.50996e-06 1.53308e-05 1.48836e-05 1.79769e+308 2.42088 inf
1891 8.63216e-06 1.70577e-05 1.48836e-05 1.79769e+308 2.42088 inf
1892 8.3063e-06 1.72485e-05 1.48836e-05 1.79769e+308 2.42088 inf
1893 8.57077e-06 1.89203e-05 1.48836e-05 1.79769e+308 2.42088 inf
1894 8.55878e-06 1.60366e-05 1.48836e-05 1.79769e+308 2.42088 inf
1895 8.48217e-06 1.65612e-05 1.48836e-05 1.79769e+308 2.42088 inf
1896 8.79904e-06 1.74024e-05 1.48836e-05 1.79769e+308 2.42088 inf
1897 8.51946e-06 1.58878e-05 1.48836e-05 1.79769e+308 2.42088 inf
1898 8.59635e-06 1.54141e-05 1.48836e-05 1.79769e+308 2.42088 inf
1899 8.41415e-06 1.77082e-05 1.48836e-05 1.79769e+308 2.42088 inf
1900 8.38641e-06 1.71096e-05 1.48836e-05 1.79769e+308 2.42088 inf
1901 8.38139e-06 1.85995e-05 1.48836e-05 1.79769e+308 2.42088 inf
1902 8.47886e-06 1.67432e-05 1.48836e-05 1.79769e+308 2.42088 inf
1903 8.59636e-06 1.78329e-05 1.48836e-05 1.79769e+308 2.42088 inf
1904 8.67037e-06 1.87548e-05 1.48836e-05 1.79769e+308 2.42088 inf
1905 8.68325e-06 1.57803e-05 1.48836e-05 1.79769e+308 2.42088 inf
1906 8.43933e-06 1.65352e-05 1.48836e-05 1.79769e+308 2.42088 inf
1907 8.80649e-06 1.67286e-05 1.48836e-05 1.79769e+308 2.42088 inf
1908 8.84373e-06 1.77712e-05 1.48836e-05 1.79769e+308 2.42088 inf
1909 8.73986e-06 1.7486e-05 1.48836e-05 1.79769e+308 2.42088 inf
1910 8.88225e-06 1.6114e-05 1.48836e-05 1.79769e+308 2.42088 inf
1911 8.62424e-06 1.67756e-05 1.48836e-05 1.79769e+308 2.42088 inf
1912 8.87813e-06 1.77102e-05 1.48836e-05 1.79769e+308 2.42088 inf
1913 8.46571e-06 1.62975e-05 1.48836e-05 1.79769e+308 2.42088 inf
1914 8.78836e-06 1.54972e-05 1.48836e-05 1.79769e+308 2.42088 inf
1915 8.49919e-06 1.56191e-05 1.48836e-05 1.79769e+308 2.42088 inf
1916 8.45864e-06 1.55024e-05 1.48836e-05 1.79769e+308 2.42088 inf
1917 8.82722e-06 1.76225e-05 1.48836e-05 1.79769e+308 2.42088 inf
1918 8.74587e-06 1.77908e-05 1.48836e-05 1.79769e+308 2.42088 inf
1919 8.76112e-06 1.70838e-05 1.48836e-05 1.79769e+308 2.42088 inf
1920 8.95609e-06 1.76873e-05 1.48836e-05 1.79769e+308 2.42088 inf
1921 8.54912e-06 1.60668e-05 1.48836e-05 1.79769e+308 2.42088 inf
1922 8.55034e-06 1.57728e-05 1.48836e-05 1.79769e+308 2.42088 inf
1923 8.46109e-06 1.54675e-05 1.48836e-05 1.79769e+308 2.42088 inf
1924 8.78558e-06 1.83081e-05 1.48836e-05 1.79769e+308 2.42088 inf
1925 8.76153e-06 1.83822e-05 1.48836e-05 1.79769e+308 2.42088 inf
1926 8.43147e-06 1.8829e-05 1.48836e-05 1.79769e+308 2.42088 inf
1927 8.50523e-06 1.595e-05 1.48836e-05 1.79769e+308 2.42088 inf
1928 8.8712e-06 1.58658e-05 1.48836e-05 1.79769e+308 2.42088 inf
1929 8.76326e-06 1.65502e-05 1.48836e-05 1.79769e+308 2.42088 inf
1930 8.83232e-06 1.67677e-05 1.48836e-05 1.79769e+308 2.42088 inf
1931 8.37554e-06 1.7624e-05 1.48836e-05 1.79769e+308 2.42088 inf
1932 8.4795e-06 3.50768e-05 1.48836e-05 1.79769e+308 2.42088 inf
1933 8.79766e-06 1.67765e-05 1.48836e-05 1.79769e+308 2.42088 inf
1934 8.67579e-06 1.60073e-05 1.48836e-05 1.79769e+308 2.42088 inf
1935 8.85721e-06 1.63211e-05 1.48836e-05 1.79769e+308 2.42088 inf
1936 8.74459e-06 1.49223e-05 1.48836e-05 1.79769e+308 2.42088 inf
1937 8.80924e-06 1.77452e-05 1.48836e-05 1.79769e+308 2.42088 inf
1938 8.79113e-06 3.37334e-05 1.48836e-05 1.79769e+308 2.42088 inf
1939 8.82155e-06 1.66504e-05 1.48836e-05 1.79769e+308 2.42088 inf
1940 8.62516e-06 1.61984e-05 1.48836e-05 1.79769e+308 2.42088 inf
1941 8.79616e-06 1.56404e-05 1.48836e-05 1.79769e+308 2.42088 inf
1942 8.73092e-06 1.72537e-05 1.48836e-05 1.79769e+308 2.42088 inf
1943 8.82598e-06 3.4253e-05 1.48836e-05 1.79769e+308 2.42088 inf
1944 8.76598e-06 1.7511e-05 1.48836e-05 1.79769e+308 2.42088 inf
1945 8.5676e-06 1.61839e-05 1.48836e-05 1.79769e+308 2.42088 inf
1946 8.66561e-06 1.79396e-05 1.48836e-05 1.79769e+308 2.42088 inf
1947 8.6198e-06 1.6117e-05 1.48836e-05 1.79769e+308 2.42088 inf
1948 8.7923e-06 1.62603e-05 1.48836e-05 1.79769e+308 2.42088 inf
1949 8.68726e-06 1.86213e-05 1.48836e-05 1.79769e+308 2.42088 inf
1950 8.79691e-06 1.83258e-05 1.48836e-05 1.79769e+308 2.42088 inf
1951 8.69657e-06 1.78184e-05 1.48836e-05 1.79769e+308 2.42088 inf
1952 8.70282e-06 1.63009e-05 1.48836e-05 1.79769e+308 2.42088 inf
1953 8.8457e-06 1.56232e-05 1.48836e-05 1.79769e+308 2.42088 inf
1954 8.73353e-06 1.58145e-05 1.48836e-05 1.79769e+308 2.42088 inf
1955 8.83886e-06 1.58046e-05 1.48836e-05 1.79769e+308 2.42088 inf
1956 8.70796e-06 1.69352e-05 1.48836e-05 1.79769e+308 2.42088 inf
1957 9.21071e-06 1.79218e-05 1.48836e-05 1.79769e+308 2.42088 inf
1958 8.66606e-06 1.75743e-05 1.48836e-05 1.79769e+308 2.42088 inf
1959 8.59096e-06 1.9604e-05 1.48836e-05 1.79769e+308 2.42088 inf
1960 8.46948e-06 3.41694e-05 1.48836e-05 1.79769e+308 2.42088 inf
1961 8.54931e-06 1.70361e-05 1.48836e-05 1.79769e+308 2.42088 inf
1962 9.06719e-06 1.66897e-05 1.48836e-05 1.79769e+308 2.42088 inf
1963 8.84504e-06 1.55031e-05 1.48836e-05 1.79769e+308 2.42088 inf
1964 8.89474e-06 1.93847e-05 1.48836e-05 1.79769e+308 2.42088 inf
1965 8.88903e-06 1.67215e-05 1.48836e-05 1.79769e+308 2.42088 inf
1966 9.2389e-06 1.56348e-05 1.48836e-05 1.79769e+308 2.42088 inf
1967 9.1128e-06 1.66833e-05 1.48836e-05 1.79769e+308 2.42088 inf
1968 8.9748e-06 1.58295e-05 1.48836e-05 1.79769e+308 2.42088 inf
1969 8.98368e-06 1.72258e-05 1.48836e-05 1.79769e+308 2.42088 inf
1970 8.79066e-06 1.66733e-05 1.48836e-05 1.79769e+308 2.42088 inf
1971 8.85883e-06 1.78221e-05 1.48836e-05 1.79769e+308 2.42088 inf
1972 8.79293e-06 1.66595e-05 1.48836e-05 1.79769e+308 2.42088 inf
1973 8.50527e-06 1.6674e-05 1.48836e-05 1.79769e+308 2.42088 inf
1974 8.89849e-06 1.53748e-05 1.48836e-05 1.79769e+308 2.42088 inf
1975 9.05811e-06 1.87671e-05 1.48836e-05 1.79769e+308 2.42088 inf
1976 8.86115e-06 1.88134e-05 1.48836e-05 1.79769e+308 2.42088 inf
1977 8.75013e-06 1.61279e-05 1.48836e-05 1.79769e+308 2.42088 inf
1978 8.82356e-06 1.54787e-05 1.48836e-05 1.79769e+308 2.42088 inf
1979 8.77363e-06 1.7656e-05 1.48836e-05 1.79769e+308 2.42088 inf
1980 8.9728e-06 1.71955e-05 1.48836e-05 1.79769e+308 2.42088 inf
1981 8.97844e-06 1.58471e-05 1.48836e-05 1.79769e+308 2.42088 inf
1982 8.74626e-06 1.73313e-05 1.48836e-05 1.79769e+308 2.42088 inf
1983 8.99214e-06 1.5954e-05 1.48836e-05 1.79769e+308 2.42088 inf
1984 8.65787e-06 1.72471e-05 1.48836e-05 1.79769e+308 2.42088 inf
1985 8.75525e-06 3.36457e-05 1.48836e-05 1.79769e+308 2.42088 inf
1986 9.03781e-06 1.60794e-05 1.48836e-05 1.79769e+308 2.42088 inf
1987 8.81e-06 1.76567e-05 1.48836e-05 1.79769e+308 2.42088 inf
1988 8.75714e-06 1.78167e-05 1.48836e-05 1.79769e+308 2.42088 inf
1989 8.9343e-06 1.79284e-05 1.48836e-05 1.79769e+308 2.42088 inf
1990 8.84548e-06 1.62383e-05 1.48836e-05 1.79769e+308 2.42088 inf
1991 8.77085e-06 1.64998e-05 1.48836e-05 1.79769e+308 2.42088 inf
1992 8.98202e-06 1.63346e-05 1.48836e-05 1.79769e+308 2.42088 inf
1993 8.94865e-06 1.74382e-05 1.48836e-05 1.79769e+308 2.42088 inf
1994 8.93588e-06 1.61261e-05 1.48836e-05 1.79769e+308 2.42088 inf
1995 8.92979e-06 1.59754e-05 1.48836e-05 1.79769e+308 2.42088 inf
1996 8.97543e-06 1.60525e-05 1.48836e-05 1.79769e+308 2.42088 inf
1997 8.92249e-06 1.65247e-05 1.48836e-05 1.79769e+308 2.42088 inf
1998 8.89027e-06 1.74918e-05 1.48836e-05 1.79769e+308 2.42088 inf
1999 8.8684e-06 1.47939e-05 1.48836e-05 1.79769e+308 2.42088 inf
2000 9.14256e-06 1.60769e-05 1.47939e-05 1.79769e+308 2.41358 inf
2001 8.96063e-06 1.6678e-05 1.47939e-05 1.79769e+308 2.41358 inf
2002 8.99131e-06 1.64032e-05 1.47939e-05 1.79769e+308 2.41358 inf
2003 8.98275e-06 1.7513e-05 1.47939e-05 1.79769e+308 2.41358 inf
2004 9.19648e-06 1.75511e-05 1.47939e-05 1.79769e+308 2.41358 inf
2005 8.6472e-06 1.89833e-05 1.47939e-05 1.79769e+308 2.41358 inf
2006 8.83359e-06 1.6404e-05 1.47939e-05 1.79769e+308 2.41358 inf
2007 8.90935e-06 1.55673e-05 1.47939e-05 1.79769e+308 2.41358 inf
2008 9.04687e-06 1.73451e-05 1.47939e-05 1.79769e+308 2.41358 inf
2009 9.1111e-06 1.66044e-05 1.47939e-05 1.79769e+308 2.41358 inf
2010 9.08892e-06 1.59251e-05 1.47939e-05 1.79769e+308 2.41358 inf
2011 8.97528e-06 1.52288e-05 1.47939e-05 1.79769e+308 2.41358 inf
2012 8.82464e-06 1.57226e-05 1.47939e-05 1.79769e+308 2.41358 inf
2013 8.90912e-06 1.68362e-05 1.47939e-05 1.79769e+308 2.41358 inf
2014 8.74101e-06 1.75063e-05 1.47939e-05 1.79769e+308 2.41358 inf
2015 8.86214e-06 1.55268e-05 1.47939e-05 1.79769e+308 2.41358 inf
2016 9.02413e-06 1.5875e-05 1.47939e-05 1.79769e+308 2.41358 inf
2017 8.64765e-06 1.87271e-05 1.47939e-05 1.79769e+308 2.41358 inf
2018 8.95207e-06 1.67932e-05 1.47939e-05 1.79769e+308 2.41358 inf
2019 9.13019e-06 1.80314e-05 1.47939e-05 1.79769e+308 2.41358 inf
2020 8.83128e-06 1.63514e-05 1.47939e-05 1.79769e+308 2.41358 inf
2021 8.89732e-06 1.68016e-05 1.47939e-05 1.79769e+308 2.41358 inf
2022 9.15859e-06 1.5545e-05 1.47939e-05 1.79769e+308 2.41358 inf
2023 8.89491e-06 3.53731e-05 1.47939e-05 1.79769e+308 2.41358 inf
2024 8.56653e-06 3.72436e-05 1.47939e-05 1.79769e+308 2.41358 inf
2025 8.94335e-06 1.75622e-05 1.47939e-05 1.79769e+308 2.41358 inf
2026 9.13783e-06 1.55097e-05 1.47939e-05 1.79769e+308 2.41358 inf
2027 9.03521e-06 3.51165e-05 1.47939e-05 1.79769e+308 2.41358 inf
2028 9.0316e-06 1.73692e-05 1.47939e-05 1.79769e+308 2.41358 inf
2029 8.98418e-06 1.61434e-05 1.47939e-05 1.79769e+308 2.41358 inf
2030 8.80147e-06 1.74766e-05 1.47939e-05 1.79769e+308 2.41358 inf
2031 9.2233e-06 1.94424e-05 1.47939e-05 1.79769e+308 2.41358 inf
2032 9.14286e-06 1.55322e-05 1.47939e-05 1.79769e+308 2.41358 inf
2033 9.21053e-06 1.81775e-05 1.47939e-05 1.79769e+308 2.41358 inf
2034 9.00537e-06 1.57834e-05 1.47939e-05 1.79769e+308 2.41358 inf
2035 8.96002e-06 1.72918e-05 1.47939e-05 1.79769e+308 2.41358 inf
2036 9.04928e-06 3.53595e-05 1.47939e-05 1.79769e+308 2.41358 inf
2037 8.87255e-06 1.62885e-05 1.47939e-05 1.79769e+308 2.41358 inf
2038 9.32967e-06 1.84846e-05 1.47939e-05 1.79769e+308 2.41358 inf
2039 9.20831e-06 1.5913e-05 1.47939e-05 1.79769e+308 2.41358 inf
2040 9.12416e-06 1.78769e-05 1.47939e-05 1.79769e+308 2.41358 inf
2041 9.1558e-06 1.63499e-05 1.47939e-05 1.79769e+308 2.41358 inf
2042 9.02667e-06 1.64361e-05 1.47939e-05 1.79769e+308 2.41358 inf
2043 9.13678e-06 1.78195e-05 1.47939e-05 1.79769e+308 2.41358 inf
2044 9.22349e-06 1.64879e-05 1.47939e-05 1.79769e+308 2.41358 inf
2045 9.33502e-06 1.78685e-05 1.47939e-05 1.79769e+308 2.41358 inf
2046 8.95406e-06 1.75827e-05 1.47939e-05 1.79769e+308 2.41358 inf
2047 9.09949e-06 1.81054e-05 1.47939e-05 1.79769e+308 2.41358 inf
2048 8.91802e-06 1.67996e-05 1.47939e-05 1.79769e+308 2.41358 inf
2049 9.19168e-06 1.81452e-05 1.47939e-05 1.79769e+308 2.41358 inf
2050 8.84423e-06 1.57316e-05 1.47939e-05 1.79769e+308 2.41358 inf
2051 9.24721e-06 1.65497e-05 1.47939e-05 1.79769e+308 2.41358 inf
2052 8.84634e-06 1.70248e-05 1.47939e-05 1.79769e+308 2.41358 inf
2053 9.14208e-06 1.8211e-05 1.47939e-05 1.79769e+308 2.41358 inf
2054 9.04118e-06 1.73101e-05 1.47939e-05 1.79769e+308 2.41358 inf
2055 9.13699e-06 1.76899e-05 1.47939e-05 1.79769e+308 2.41358 inf
2056 8.90265e-06 1.61286e-05 1.47939e-05 1.79769e+308 2.41358 inf
2057 8.97214e-06 1.74671e-05 1.47939e-05 1.79769e+308 2.41358 inf
2058 9.29019e-06 1.75654e-05 1.47939e-05 1.79769e+308 2.41358 inf
2059 9.18492e-06 1.69668e-05 1.47939e-05 1.79769e+308 2.41358 inf
2060 9.17586e-06 1.81234e-05 1.47939e-05 1.79769e+308 2.41358 inf
2061 9.16464e-06 1.78035e-05 1.47939e-05 1.79769e+308 2.41358 inf
2062 9.14381e-06 1.66904e-05 1.47939e-05 1.79769e+308 2.41358 inf
2063 9.19604e-06 1.7762e-05 1.47939e-05 1.79769e+308 2.41358 inf
2064 8.94348e-06 1.82629e-05 1.47939e-05 1.79769e+308 2.41358 inf
2065 9.21161e-06 1.77329e-05 1.47939e-05 1.79769e+308 2.41358 inf
2066 9.31955e-06 1.61324e-05 1.47939e-05 1.79769e+308 2.41358 inf
2067 8.92942e-06 1.75597e-05 1.47939e-05 1.79769e+308 2.41358 inf
2068 8.89751e-06 1.49866e-05 1.47939e-05 1.79769e+308 2.41358 inf
2069 8.86259e-06 1.58757e-05 1.47939e-05 1.79769e+308 2.41358 inf
2070 8.73265e-06 1.74027e-05 1.47939e-05 1.79769e+308 2.41358 inf
2071 8.99416e-06 1.79328e-05 1.47939e-05 1.79769e+308 2.41358 inf
2072 8.91703e-06 1.70967e-05 1.47939e-05 1.79769e+308 2.41358 inf
2073 9.02458e-06 1.54906e-05 1.47939e-05 1.79769e+308 2.41358 inf
2074 9.18561e-06 1.80365e-05 1.47939e-05 1.79769e+308 2.41358 inf
2075 9.10091e-06 1.92694e-05 1.47939e-05 1.79769e+308 2.41358 inf
2076 9.11304e-06 1.5459e-05 1.47939e-05 1.79769e+308 2.41358 inf
2077 8.7829e-06 1.5634e-05 1.47939e-05 1.79769e+308 2.41358 inf
2078 9.11468e-06 1.67118e-05 1.47939e-05 1.79769e+308 2.41358 inf
2079 8.9822e-06 1.87649e-05 1.47939e-05 1.79769e+308 2.41358 inf
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2732 1.5128e-05 1.76903e-05 1.47939e-05 1.79769e+308 2.41358 inf
2733 1.41661e-05 1.92738e-05 1.47939e-05 1.79769e+308 2.41358 inf
2734 1.51361e-05 1.82587e-05 1.47939e-05 1.79769e+308 2.41358 inf
2735 1.46588e-05 1.81465e-05 1.47939e-05 1.79769e+308 2.41358 inf
2736 1.4962e-05 1.90266e-05 1.47939e-05 1.79769e+308 2.41358 inf
2737 1.47395e-05 2.07171e-05 1.47939e-05 1.79769e+308 2.41358 inf
2738 1.47069e-05 2.01259e-05 1.47939e-05 1.79769e+308 2.41358 inf
2739 1.45966e-05 1.98777e-05 1.47939e-05 1.79769e+308 2.41358 inf
2740 1.47373e-05 1.84739e-05 1.47939e-05 1.79769e+308 2.41358 inf
2741 1.52022e-05 4.45733e-05 1.47939e-05 1.79769e+308 2.41358 inf
2742 1.47837e-05 1.8156e-05 1.47939e-05 1.79769e+308 2.41358 inf
2743 1.46147e-05 2.12055e-05 1.47939e-05 1.79769e+308 2.41358 inf
2744 1.4619e-05 1.7669e-05 1.47939e-05 1.79769e+308 2.41358 inf
2745 1.48872e-05 2.16839e-05 1.47939e-05 1.79769e+308 2.41358 inf
2746 1.4506e-05 1.69615e-05 1.47939e-05 1.79769e+308 2.41358 inf
2747 1.45304e-05 1.8595e-05 1.47939e-05 1.79769e+308 2.41358 inf
2748 1.44975e-05 1.72295e-05 1.47939e-05 1.79769e+308 2.41358 inf
2749 1.51081e-05 1.86528e-05 1.47939e-05 1.79769e+308 2.41358 inf
2750 1.42775e-05 2.01577e-05 1.47939e-05 1.79769e+308 2.41358 inf
2751 1.48137e-05 2.01254e-05 1.47939e-05 1.79769e+308 2.41358 inf
2752 1.50778e-05 1.81256e-05 1.47939e-05 1.79769e+308 2.41358 inf
2753 1.46122e-05 1.72537e-05 1.47939e-05 1.79769e+308 2.41358 inf
2754 1.4152e-05 2.18335e-05 1.47939e-05 1.79769e+308 2.41358 inf
2755 1.5258e-05 1.79635e-05 1.47939e-05 1.79769e+308 2.41358 inf
2756 1.43386e-05 1.71938e-05 1.47939e-05 1.79769e+308 2.41358 inf
2757 1.45086e-05 2.23966e-05 1.47939e-05 1.79769e+308 2.41358 inf
2758 1.46463e-05 1.83574e-05 1.47939e-05 1.79769e+308 2.41358 inf
2759 1.45218e-05 2.21786e-05 1.47939e-05 1.79769e+308 2.41358 inf
2760 1.51249e-05 2.09156e-05 1.47939e-05 1.79769e+308 2.41358 inf
2761 1.49871e-05 2.06439e-05 1.47939e-05 1.79769e+308 2.41358 inf
2762 1.49509e-05 2.13612e-05 1.47939e-05 1.79769e+308 2.41358 inf
2763 1.40491e-05 2.04722e-05 1.47939e-05 1.79769e+308 2.41358 inf
2764 1.50967e-05 1.85048e-05 1.47939e-05 1.79769e+308 2.41358 inf
2765 1.46324e-05 2.22083e-05 1.47939e-05 1.79769e+308 2.41358 inf
2766 1.48179e-05 1.82095e-05 1.47939e-05 1.79769e+308 2.41358 inf
2767 1.9076e-05 1.91539e-05 1.47939e-05 1.79769e+308 2.41358 inf
2768 1.55071e-05 2.13739e-05 1.47939e-05 1.79769e+308 2.41358 inf
2769 1.48834e-05 1.98228e-05 1.47939e-05 1.79769e+308 2.41358 inf
2770 1.45981e-05 2.00762e-05 1.47939e-05 1.79769e+308 2.41358 inf
2771 1.48462e-05 1.874e-05 1.47939e-05 1.79769e+308 2.41358 inf
2772 1.47664e-05 2.16549e-05 1.47939e-05 1.79769e+308 2.41358 inf
2773 2.32194e-05 2.01362e-05 1.47939e-05 1.79769e+308 2.41358 inf
2774 1.4958e-05 2.01911e-05 1.47939e-05 1.79769e+308 2.41358 inf
2775 1.99857e-05 1.97542e-05 1.47939e-05 1.79769e+308 2.41358 inf
2776 1.54797e-05 1.79124e-05 1.47939e-05 1.79769e+308 2.41358 inf
2777 1.49174e-05 1.79561e-05 1.47939e-05 1.79769e+308 2.41358 inf
2778 1.52357e-05 1.8192e-05 1.47939e-05 1.79769e+308 2.41358 inf
2779 1.59912e-05 1.86562e-05 1.47939e-05 1.79769e+308 2.41358 inf
2780 1.48129e-05 1.88105e-05 1.47939e-05 1.79769e+308 2.41358 inf
2781 1.52824e-05 2.20343e-05 1.47939e-05 1.79769e+308 2.41358 inf
2782 1.51958e-05 4.28337e-05 1.47939e-05 1.79769e+308 2.41358 inf
2783 1.5395e-05 2.1808e-05 1.47939e-05 1.79769e+308 2.41358 inf
2784 1.51307e-05 1.89955e-05 1.47939e-05 1.79769e+308 2.41358 inf
2785 1.4926e-05 2.02992e-05 1.47939e-05 1.79769e+308 2.41358 inf
2786 1.66636e-05 1.93606e-05 1.47939e-05 1.79769e+308 2.41358 inf
2787 1.51104e-05 1.88601e-05 1.47939e-05 1.79769e+308 2.41358 inf
2788 1.54583e-05 1.85985e-05 1.47939e-05 1.79769e+308 2.41358 inf
2789 1.47883e-05 1.84111e-05 1.47939e-05 1.79769e+308 2.41358 inf
2790 1.57916e-05 1.90461e-05 1.47939e-05 1.79769e+308 2.41358 inf
2791 1.46653e-05 4.60356e-05 1.47939e-05 1.79769e+308 2.41358 inf
2792 1.5985e-05 2.19027e-05 1.47939e-05 1.79769e+308 2.41358 inf
2793 1.57707e-05 1.77365e-05 1.47939e-05 1.79769e+308 2.41358 inf
2794 1.5676e-05 2.04125e-05 1.47939e-05 1.79769e+308 2.41358 inf
2795 1.54682e-05 2.03844e-05 1.47939e-05 1.79769e+308 2.41358 inf
2796 1.53534e-05 2.10885e-05 1.47939e-05 1.79769e+308 2.41358 inf
2797 1.54947e-05 2.05836e-05 1.47939e-05 1.79769e+308 2.41358 inf
2798 1.50889e-05 2.41118e-05 1.47939e-05 1.79769e+308 2.41358 inf
2799 1.52965e-05 2.06216e-05 1.47939e-05 1.79769e+308 2.41358 inf
torchani/resources/ani-1ccx_8x/train6/inputtrain.ipt 0 → 100644
View file @ b3c7e0e3
!InputFile for Force Prediction Network
sflparamsfile=rHCNO-5.2R_16-3.5A_a4-8.params
ntwkStoreDir=networks/
atomEnergyFile=sae_linfit.dat
nmax=0! Maximum number of iterations (0 = inf)
tolr=200! Tolerance - early stopping
emult=0.5!Multiplier by eta after tol switch
eta=0.001! Eta -- Learning rate
tcrit=1.0E-6! Eta termination criterion
tmax=0! Maximum time (0 = inf)
tbtchsz=2560
vbtchsz=2560
gpuid=0
ntwshr=0
nkde=2
energy=1
freezelayer=0,2
force=0
fmult=0.0
pbc=0
cmult =0.001
runtype=ANNP_CREATE_HDNN_AND_TRAIN!Create and train a HDN network
network_setup {
inputsize=384;
atom_net H $
layer [
nodes=160;
activation=9;
type=0;
l2norm=1;
l2valu=0.0001;
]
layer [
nodes=128;
activation=9;
type=0;
l2norm=1;
l2valu=0.00001;
]
layer [
nodes=96;
activation=9;
type=0;
l2norm=1;
l2valu=0.000001;
]
layer [
nodes=1;
activation=6;
type=0;
]
$
atom_net C $
layer [
nodes=144;
activation=9;
type=0;
l2norm=1;
l2valu=0.0001;
]
layer [
nodes=112;
activation=9;
type=0;
l2norm=1;
l2valu=0.00001;
]
layer [
nodes=96;
activation=9;
type=0;
l2norm=1;
l2valu=0.000001;
]
layer [
nodes=1;
activation=6;
type=0;
]
$
atom_net N $
layer [
nodes=128;
activation=9;
type=0;
l2norm=1;
l2valu=0.0001;
]
layer [
nodes=112;
activation=9;
type=0;
l2norm=1;
l2valu=0.00001;
]
layer [
nodes=96;
activation=9;
type=0;
l2norm=1;
l2valu=0.000001;
]
layer [
nodes=1;
activation=6;
type=0;
]
$
atom_net O $
layer [
nodes=128;
activation=9;
type=0;
l2norm=1;
l2valu=0.0001;
]
layer [
nodes=112;
activation=9;
type=0;
l2norm=1;
l2valu=0.00001;
]
layer [
nodes=96;
activation=9;
type=0;
l2norm=1;
l2valu=0.000001;
]
layer [
nodes=1;
activation=6;
type=0;
]
$
}
adptlrn=OFF ! Adaptive learning (OFF,RMSPROP)
decrate=0.9 !Decay rate of RMSPROP
moment=ADAM! Turn on momentum or nesterov momentum (OFF,CNSTTEMP,TMANNEAL,REGULAR,NESTEROV)
mu=0.99 ! Mu factor for momentum
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