Searched refs:xpkj1 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | colvar_methods.F | 2489 xpkj1 = MATMUL(cell%hmat, ss)
2492 xpn1(1) = xpij1(2)*xpkj1(3) - xpij1(3)*xpkj1(2)
2493 xpn1(2) = xpij1(3)*xpkj1(1) - xpij1(1)*xpkj1(3)
2494 xpn1(3) = xpij1(1)*xpkj1(2) - xpij1(2)*xpkj1(1)
2560 dxpndxi(1, 2) = 1.0_dp*xpkj1(3)
2561 dxpndxi(1, 3) = -1.0_dp*xpkj1(2)
2564 dxpndxi(2, 3) = 1.0_dp*xpkj1(1)
2565 dxpndxi(3, 1) = 1.0_dp*xpkj1(2)
2611 dxpndxi(1, 2) = 1.0_dp*xpkj1(3)
2615 dxpndxi(2, 3) = 1.0_dp*xpkj1(1)
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | colvar_methods.F | 2489 xpkj1 = MATMUL(cell%hmat, ss)
2492 xpn1(1) = xpij1(2)*xpkj1(3) - xpij1(3)*xpkj1(2)
2493 xpn1(2) = xpij1(3)*xpkj1(1) - xpij1(1)*xpkj1(3)
2494 xpn1(3) = xpij1(1)*xpkj1(2) - xpij1(2)*xpkj1(1)
2560 dxpndxi(1, 2) = 1.0_dp*xpkj1(3)
2561 dxpndxi(1, 3) = -1.0_dp*xpkj1(2)
2564 dxpndxi(2, 3) = 1.0_dp*xpkj1(1)
2565 dxpndxi(3, 1) = 1.0_dp*xpkj1(2)
2611 dxpndxi(1, 2) = 1.0_dp*xpkj1(3)
2615 dxpndxi(2, 3) = 1.0_dp*xpkj1(1)
[all …]
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