this is for holding javascript data
David Koes Deleted File
about 8 years ago
Commit id: ee322f82b83069dd56b8cc2b3290fecd17311449
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CP2K is a quantum chemistry and solid state physics software package. It is able to carry out atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K supplies a framework for different modeling methods such as DFT using the mixed Gaussian and plane waves approaches GPW and GAPW in general. It supports theory levels of DFTB, LDA, GGA, MP2, RPA, semi-empirical methods (AM1, PM3, PM6, RM1, MNDO, …), and classical force fields (AMBER, CHARMM, …). Also, simulations of molecular dynamics, metadynamics, Quantum Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level spectroscopy, energy minimization, and transition state optimization using NEB or dimer method can be done by CP2K.
