cpe-source

Chemical Potential Equalization // DFTB source code

Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
.gitignore		.gitignore
GNUmake.inc		GNUmake.inc
GNUmakefile		GNUmakefile
README.md		README.md
atomen.f		atomen.f
bfgs.f		bfgs.f
bfgs_timer.f		bfgs_timer.f
bfgsgeom.f		bfgsgeom.f
broyden.f		broyden.f
cgrad.f		cgrad.f
cm3charges.f90		cm3charges.f90
commonbox.h		commonbox.h
cpe_gradients.f90		cpe_gradients.f90
cpe_scf.f90		cpe_scf.f90
dispersion_egr.f		dispersion_egr.f
dispersionread.f		dispersionread.f
dpmeps.f		dpmeps.f
dylcao.r		dylcao.r
eglcao.f		eglcao.f
ewevge.f		ewevge.f
externalchgrad.f		externalchgrad.f
externalshift.f		externalshift.f
fermi.r		fermi.r
fixed_fermi.f90		fixed_fermi.f90
gamma.f		gamma.f
gammamat.f		gammamat.f
gamnew.f		gamnew.f
geometries.r		geometries.r
gettab.r		gettab.r
gradient.r		gradient.r
input.f		input.f
invert_eta_cpe.f90		invert_eta_cpe.f90
linpack.f		linpack.f
long_range.f		long_range.f
mixer.f		mixer.f
mulliken.r		mulliken.r
output.r		output.r
phihelp.inc		phihelp.inc
ranmar.f		ranmar.f
reada.f		reada.f
repulsiv.r		repulsiv.r
self.f		self.f
shift.f		shift.f
short_range.f		short_range.f
skpar.r		skpar.r
slkode.r		slkode.r
slktrafo.f		slktrafo.f
vibout.r		vibout.r
vnorm.r		vnorm.r
xnorm.r		xnorm.r

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