IGMPlot
3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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Here is a list of all documented variables with links to the documentation:
- a -
ADF2user_atomOrder :
WFreader.cpp
ALPHA :
general.h
ATOM_COREORB :
reader.h
ATOM_ELECTRONS :
reader.h
ATOM_NAMES :
reader.h
- b -
BOHRTOA :
general.h
- c -
centers :
WFreader.cpp
chosenBonds :
reader.cpp
CriticAddSeedsMode :
reader.cpp
CriticFINEMode :
reader.cpp
CriticMEDIUMMode :
reader.cpp
CriticMode :
reader.cpp
CriticULTRAFINEMode :
reader.cpp
CUBE_NAMES :
output.h
cubeIncrement :
reader.cpp
- d -
DEFAULT_CUTOFF :
general.h
dgSCALED :
reader.cpp
- e -
ELF_const :
general.h
elfMode :
reader.cpp
EPSILON_RAD :
general.h
- f -
fileLoaded :
WFreader.cpp
FIVE_THIRD :
general.h
FOUR_THIRD :
general.h
frag1Defined :
reader.cpp
fullaoaccMode :
reader.cpp
- h -
HirshMode :
reader.cpp
- i -
ibsiMode :
reader.cpp
inputFileSectionPositions :
WFreader.cpp
interacThreshold :
general.h
- k -
KEYWORDS :
output.h
- l -
LN_2 :
general.h
- m -
maxElecAccurlev1 :
general.h
moleculeAatomDefinition :
reader.cpp
moleculeAatoms :
reader.cpp
moleculeBatoms :
reader.cpp
moleculeOrbitals :
WFreader.cpp
- n -
NaN :
general.h
NB_KNW_ATMS :
general.h
nbNuclei :
WFreader.cpp
nbOrbitals :
WFreader.cpp
nbPrimitives :
WFreader.cpp
netCharge :
WFreader.cpp
NormCoeff_deltagd2GTO :
general.h
- o -
ONE_THIRD :
general.h
- p -
PARAM_NAMES :
general.h
parseRKF :
reader.cpp
pauli :
reader.cpp
pauliatomic :
reader.cpp
peakFocusIntra :
reader.cpp
PI :
general.h
PI_2 :
general.h
PI_4 :
general.h
PI_squared :
general.h
primitiveCenters :
WFreader.cpp
primitiveExponents :
WFreader.cpp
primitiveKRs :
WFreader.cpp
primitiveTypes :
WFreader.cpp
- r -
R_MAX :
general.h
ratioIGMthresholdPRO :
general.h
rkfMode :
reader.cpp
- s -
scoredg_over_rhoThresh :
general.h
scoredgThresh :
general.h
SCRIPT_NAMES :
output.h
SCRIPT_NAMES_LENGTH :
output.h
setLIGAND :
reader.cpp
- t -
THETA_MAX :
general.h
totalEnergy :
WFreader.cpp
- u -
user2ADF_atomOrder :
WFreader.cpp
- v -
virial :
WFreader.cpp
- w -
wfMode :
reader.cpp
wfnMode :
reader.cpp
wfxMode :
reader.cpp
wfxSectionNames :
WFreader.cpp
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