Jobex: Structure Optimization and Molecular Dynamics
Topics
[1] Help with Setting Up Surface Hopping MD Calculations
[2] Re: Visualization of trajectory in Molecular dynamics
[3] Visualization of trajectory in Molecular dynamics
[4] Thermostat usage in Molecular dynamics
[5] Gradient Convergence Control
[8] DFT: Imaginary frequencies after geometry optimization
[9] UFF with external electric field
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