Search Results for "db browser for sqlite"

...Contains three (more or less) finished sub-programs: (a) “hex-ecs” which solves the Schrödinger equation in the B-spline basis, (b) “hex-dwba” which computes scattering variables for high energies using the distorted wave Born approximation of the first order and finally (c) “hex-db” which is a user interface to a plain SQLite database, where the intermediate results are being stored, and which is used to extract derived quantities like a cross section from it. Several more solvers are being developed right now - namely the second order of Born approximation for use in Born subtraction and the intermediate energy regime, and the relativistic variant of ECS for solution of (n,l,j,m,σ) ⟶ (n',l',j',m',σ') transitions.

We've moved to https://github.com/tjod/gMol/wiki gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL and web browser widgets that enable flexible user interfaces.