ABINIT
ABINIT Operation Instructions and User Guide.
codeAster
Code_Aster Operation Instructions and User Guide.
Code-Saturne
Code_Saturne Operation Instructions and User Guide.
CP2k
CP2K Operation Instructions and User Guide.
GAMESS
GAMESS Operation Instructions and User Guide.
Gaussian
Gaussian operation instructions and user guide.
Gromacs
mpirun: Runs the gmx grompp command across multiple processes. gmx: Command prefix for the GROMACS software package. grompp: Program in GROMACS used to prepare simulations. -f minimization.mdp: Specifies the name of the simulation parameter file. -c input.gro: Specifies the name of the input structure file...
LAMMPS
LAMMPS operation instructions and user guide.
MEEP
MEEP operation instructions and user guide.
NAMD
NAMD operation instructions and user guide.
Octopus
Octopus: Operational Instructions and User Guide.
Palabos
Palabos: Operational Instructions and User Guide.
Quantum ESPRESSO
Quantum ESPRESSO: Operational Instructions and User Guide.
VASP
VASP: Operational Instructions and User Guide.
QMCpack
QMCPACK: Operational Instructions and User Guide.
nclncarg
NCL/NCARG operation instructions and user guide.
MOPAC
MOPAC operation instructions and user guide.
ABACUS
ABACUS Operation Instructions and User Guide.
LIGGGHTS
Job scripts, compilation process, and common issues for the LIGGGHTS discrete element program.
psi4
psi4: Operational Instructions and User Guide.