Jobex: Structure Optimization and Molecular Dynamics

Topics

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[1] Singlet excited state geometry optimization problems

[2] Constrained optimizations

[3] Global optimization with a genetic algorithm

[4] finding saddle points with jobex -trans

[5] Optimization using jobex in fixed internals

[6] Simulated Annealing

[7] many problems encoutered while I used TDDFT EGRAD for optimization...

[8] excited state structure optimization using jobex with statpt

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