Jobex: Structure Optimization and Molecular Dynamics

Topics

(1/13) > >>

[1] Jobex increases the energy from reference geometrical minimum

[2] Very slow RDGRAD

[3] Synchronous optimization

[4] Rdgrad error for system with near-linear dependency

[5] x2t works incorrectly

[6] Help with Setting Up Surface Hopping MD Calculations

[7] Re: Visualization of trajectory in Molecular dynamics

[8] Visualization of trajectory in Molecular dynamics

[9] Thermostat usage in Molecular dynamics

Navigation

[0] Up one level

[#] Next page