遇见数据集

Dynamics: all states, all modes

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NIAID Data Ecosystem2026-03-11 收录
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Input and output files of the dynamics using all states and all modes. PREP - general preparation filesPREP/LVC_full.template - LVC parameters usedPREP/ref_dyn.bash - script for generating diabatic initital conditions EDC_Eph-plus - SHARC runs input.new - SHARC input filepop3.out - Number of trajectories in each MCH state (multiplets summed up) pop9.out - Quantum amplitudes in MCH picture (multiplets summed up) pop13.out - Transform diagonal populations to MCH states (multiplets summed up) - classicalpop15.out - Transform diagonal populations to MCH states (multiplets summed up) - mixed quantum/classical pop20.out - Quantum amplitudes in diabatic picture - quantum pop21.out - Quantum amplitudes in diabatic picture - classical pop22.out - Quantum amplitudes in diabatic picture - mixed quantum/classical

创建时间:
2019-05-20
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