documentation

https://onetep-devel.github.io/documentation/

Name		Name	Last commit message	Last commit date
Latest commit History 99 Commits
.github/workflows		.github/workflows
_ext		_ext
_static		_static
tutorials/T4_lysozyme		tutorials/T4_lysozyme
.gitignore		.gitignore
AQUA-FOE.rst		AQUA-FOE.rst
BOMD.rst		BOMD.rst
DFTB.rst		DFTB.rst
EDA.rst		EDA.rst
EMFT_in_ONETEP.rst		EMFT_in_ONETEP.rst
Geometry_Relaxation.rst		Geometry_Relaxation.rst
Makefile		Makefile
ONETEP_DFT+U_README.rst		ONETEP_DFT+U_README.rst
README.md		README.md
README_Doc.txt		README_Doc.txt
VDW-DF.rst		VDW-DF.rst
VDW-correction.rst		VDW-correction.rst
cDFT.rst		cDFT.rst
ci.rst		ci.rst
conduction.rst		conduction.rst
conf.py		conf.py
cutoff_coulomb.rst		cutoff_coulomb.rst
ddec.rst		ddec.rst
developer_area.rst		developer_area.rst
dipole_correction.rst		dipole_correction.rst
eels_in_onetep.rst		eels_in_onetep.rst
eld.rst		eld.rst
gpu.rst		gpu.rst
hfx.rst		hfx.rst
implicit_solvation_v3.rst		implicit_solvation_v3.rst
index.rst		index.rst
index_correlation_constrained.rst		index_correlation_constrained.rst
index_dftb.rst		index_dftb.rst
index_dynamics.rst		index_dynamics.rst
index_geoopt.rst		index_geoopt.rst
index_gpu.rst		index_gpu.rst
index_ground_state.rst		index_ground_state.rst
index_population.rst		index_population.rst
index_properties.rst		index_properties.rst
index_qmmm.rst		index_qmmm.rst
index_spectroscopy.rst		index_spectroscopy.rst
index_transition_states.rst		index_transition_states.rst
keywords.rst		keywords.rst
kpoints_and_spin.rst		kpoints_and_spin.rst
ldos_calculations.rst		ldos_calculations.rst
lr_tddft.rst		lr_tddft.rst
mgga.rst		mgga.rst
nbo_onetep.rst		nbo_onetep.rst
nudged-elastic-band.rst		nudged-elastic-band.rst
onetep_edft_documentation.rst		onetep_edft_documentation.rst
onetep_kernel_diis_documentation.rst		onetep_kernel_diis_documentation.rst
performance.rst		performance.rst
phonons.rst		phonons.rst
pseudoatomic_solver.rst		pseudoatomic_solver.rst
realspace_local_pseudo.rst		realspace_local_pseudo.rst
recip_precond.rst		recip_precond.rst
scissor_operator.rst		scissor_operator.rst
spectral_function_unfolding.rst		spectral_function_unfolding.rst
starting_with_onetep.rst		starting_with_onetep.rst
stress.rst		stress.rst
symmetry.rst		symmetry.rst
template_mod.F90		template_mod.F90
tinktep.rst		tinktep.rst
transport.rst		transport.rst
working_with_github.rst		working_with_github.rst

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