votca
2024.2-dev
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xtp
src
libxtp
libxtp → tools Relation
File in xtp/src/libxtp
Includes file in tools
atom.cc
include
/
votca
/
tools
/
elements.h
basisset.cc
include
/
votca
/
tools
/
globals.h
basisset.cc
include
/
votca
/
tools
/
property.h
gwbse
/
bse.cc
include
/
votca
/
tools
/
linalg.h
bsecoupling.cc
include
/
votca
/
tools
/
constants.h
classicalsegment.cc
include
/
votca
/
tools
/
elements.h
classicalsegment.cc
include
/
votca
/
tools
/
getline.h
classicalsegment.cc
include
/
votca
/
tools
/
tokenizer.h
dftcoupling.cc
include
/
votca
/
tools
/
constants.h
dftengine
/
dftengine.cc
include
/
votca
/
tools
/
constants.h
dftengine
/
dftengine.cc
include
/
votca
/
tools
/
elements.h
calculators
/
eanalyze.h
include
/
votca
/
tools
/
histogramnew.h
calculators
/
eanalyze.h
include
/
votca
/
tools
/
tokenizer.h
ecpbasisset.cc
include
/
votca
/
tools
/
globals.h
ecpbasisset.cc
include
/
votca
/
tools
/
property.h
dftengine
/
embeddingengine.cc
include
/
votca
/
tools
/
constants.h
dftengine
/
embeddingengine.cc
include
/
votca
/
tools
/
elements.h
erdiabatization.cc
include
/
votca
/
tools
/
constants.h
espfit.cc
include
/
votca
/
tools
/
constants.h
fcddiabatization.cc
include
/
votca
/
tools
/
constants.h
gaussian_quadrature
/
gauss_legendre_quadrature.h
include
/
votca
/
tools
/
constants.h
gaussianwriter.cc
include
/
votca
/
tools
/
eigenio_matrixmarket.h
gmhdiabatization.cc
include
/
votca
/
tools
/
constants.h
grids
/
grid.cc
include
/
votca
/
tools
/
constants.h
grids
/
grid.cc
include
/
votca
/
tools
/
elements.h
gwbse
/
gwbse.cc
include
/
votca
/
tools
/
constants.h
gyration.cc
include
/
votca
/
tools
/
elements.h
calculators
/
ianalyze.cc
include
/
votca
/
tools
/
histogramnew.h
jobcalculators
/
iexcitoncl.cc
include
/
votca
/
tools
/
constants.h
jobcalculators
/
iexcitoncl.cc
include
/
votca
/
tools
/
propertyiomanipulator.h
jobcalculators
/
iexcitoncl.h
include
/
votca
/
tools
/
property.h
ImaginaryAxisIntegration.cc
include
/
votca
/
tools
/
constants.h
IndexParser.cc
include
/
votca
/
tools
/
tokenizer.h
jobcalculators
/
iqm.cc
include
/
votca
/
tools
/
constants.h
jobcalculators
/
iqm.cc
include
/
votca
/
tools
/
property.h
jobcalculators
/
iqm.h
include
/
votca
/
tools
/
property.h
job.cc
include
/
votca
/
tools
/
propertyiomanipulator.h
jobtopology.cc
include
/
votca
/
tools
/
property.h
jobtopology.cc
include
/
votca
/
tools
/
version.h
kmccalculator.cc
include
/
votca
/
tools
/
constants.h
kmccalculator.cc
include
/
votca
/
tools
/
tokenizer.h
calculators
/
kmclifetime.cc
include
/
votca
/
tools
/
constants.h
calculators
/
kmclifetime.cc
include
/
votca
/
tools
/
property.h
calculators
/
kmcmultiple.cc
include
/
votca
/
tools
/
constants.h
calculators
/
kmcmultiple.cc
include
/
votca
/
tools
/
property.h
calculators
/
mapchecker.h
include
/
votca
/
tools
/
filesystem.h
calculators
/
neighborlist.h
include
/
votca
/
tools
/
globals.h
orbitals.cc
include
/
votca
/
tools
/
version.h
polarsite.cc
include
/
votca
/
tools
/
constants.h
jobcalculators
/
qmmm.cc
include
/
votca
/
tools
/
property.h
jobcalculators
/
qmmm.cc
include
/
votca
/
tools
/
tokenizer.h
qmmolecule.cc
include
/
votca
/
tools
/
elements.h
qmpackage.cc
include
/
votca
/
tools
/
getline.h
qmpackage.cc
include
/
votca
/
tools
/
globals.h
gwbse
/
sigma_base.cc
include
/
votca
/
tools
/
constants.h
statesaver.cc
include
/
votca
/
tools
/
filesystem.h
staticsite.cc
include
/
votca
/
tools
/
constants.h
topology.cc
include
/
votca
/
tools
/
globals.h
topology.cc
include
/
votca
/
tools
/
version.h
calculators
/
vaverage.cc
include
/
votca
/
tools
/
getline.h
version.cc
include
/
votca
/
tools
/
version.h
grids
/
vxc_grid.cc
include
/
votca
/
tools
/
NDimVector.h
xtpapplication.cc
include
/
votca
/
tools
/
globals.h
xtpapplication.cc
include
/
votca
/
tools
/
optionshandler.h
xtpapplication.cc
include
/
votca
/
tools
/
property.h
xtpapplication.cc
include
/
votca
/
tools
/
propertyiomanipulator.h
xtpapplication.cc
include
/
votca
/
tools
/
tokenizer.h
numerical_integration
/
vxc_potential.cc
include
/
votca
/
tools
/
tokenizer.h
qmpackages
/
orca.cc
include
/
votca
/
tools
/
elements.h
qmpackages
/
orca.cc
include
/
votca
/
tools
/
getline.h
qmpackages
/
orca.cc
include
/
votca
/
tools
/
globals.h
qmpackages
/
orca.cc
include
/
votca
/
tools
/
tokenizer.h
qmpackages
/
xtpdft.cc
include
/
votca
/
tools
/
constants.h
self_energy_evaluators
/
sigma_cda.cc
include
/
votca
/
tools
/
constants.h
self_energy_evaluators
/
sigma_ppm.cc
include
/
votca
/
tools
/
constants.h
self_energy_evaluators
/
sigma_ppm.cc
include
/
votca
/
tools
/
globals.h
tools
/
dftgwbse.cc
include
/
votca
/
tools
/
constants.h
tools
/
diabatization.h
include
/
votca
/
tools
/
types.h
tools
/
excitoncoupling.h
include
/
votca
/
tools
/
constants.h
tools
/
gencube.cc
include
/
votca
/
tools
/
constants.h
tools
/
gencube.cc
include
/
votca
/
tools
/
elements.h
tools
/
gencube.cc
include
/
votca
/
tools
/
getline.h
tools
/
gpu_benchmark.cc
include
/
votca
/
tools
/
property.h
tools
/
mol2orb.cc
include
/
votca
/
tools
/
constants.h
tools
/
mol2orb.h
include
/
votca
/
tools
/
constants.h
tools
/
orb2fchk.cc
include
/
votca
/
tools
/
constants.h
tools
/
orb2fchk.h
include
/
votca
/
tools
/
constants.h
tools
/
orb2mol.h
include
/
votca
/
tools
/
constants.h
tools
/
spectrum.cc
include
/
votca
/
tools
/
constants.h
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