ERKALE
ERKALE - DFT from Hel
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Here is a list of all documented files with brief descriptions:
[detail level
1
2
3
4
]
src
atom
atomtable.h
integrals.h
solvers.h
casida
casida.h
casida_grid.h
completeness
completeness_profile.h
optimize_completeness.h
contrib
co-opt.h
energy-opt.h
emd
emd.h
emd_gto.h
emd_similarity.h
emd_sto.h
emdcube.h
gto_fourier.h
spherical_expansion.h
external
adf
ArrayList.h
KFc.h
fchkpt_tools.h
storage.h
slaterfit
form_exponents.h
solve_coefficients.h
xrs
bfprod.h
fourierprod.h
lmtrans.h
momentum_series.h
xrsscf.h
bader.h
badergrid.h
basis.h
basislibrary.h
boys.h
broyden.h
chebyshev.h
checkpoint.h
density_fitting.h
dftfuncs.h
dftgrid.h
diis.h
elements.h
eri_digest.h
erichol.h
erifit.h
eriscreen.h
eritable.h
eriworker.h
find_molecules.h
gaunt.h
global.h
guess.h
hirshfeld.h
hirshfeldi.h
integrals.h
lbfgs.h
lebedev.h
linalg.h
lmgrid.h
lobatto.h
localization.h
mathf.h
obara-saika.h
properties.h
pzstability.h
scf.h
settings.h
solidharmonics.h
spherical_harmonics.h
stockholder.h
stringutil.h
tempered.h
timer.h
trrh.h
unitary.h
version.h
xyzutils.h
zmatrix.h
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