This is a cheat sheet for using the markdown syntax.
Notes on how to write Makefiles for (modern) fortran programs. Modules, submodules, and automatic dependency generation.
A collection of crystals for all space groups and notes about symmetry in critic2.
This entry discusses the calculation of the atomic forces, the stress tensor, and the dynamical matrix in periodic solids when the energy is given as a sum o...
File formats for molecular wavefunctions created by different programs and their implementation in critic2.