MPQC 2.3.1

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- File List

File List
Here is a list of all documented files with brief descriptions:

abstract.h |
accum.h |
algebra3.h |
animate.h |
appearance.h |
array.h |
atominfo.h |
autovec.h |
avlmap.h |
avlset.h |
basis.h |
bem.h |
bitarray.h |
blas.h |
blkiter.h |
block.h |
blocked.h |
bug.h |
build.h |
bzerofast.h |
carray.h |
cints/cartit.h |
intcca/cartit.h |
cartiter.h |
cartitv3.h |
ccaenv.h |
ccaiter.h |
cints.h |
class.h |
clhf.h |
clhftmpl.h |
clks.h |
clkstmpl.h |
clscf.h |
cmatrix.h |
color.h |
compare.h |
comptmpl.h |
compute.h |
conv.h |
coor.h |
corrtab.h |
csgrad34qb.h |
csgrade12.h |
csgrads2pdm.h |
density.h |
dercent.h |
diis.h |
dim.h |
dist.h |
disthql.h |
distshpair.h |
eavlmmap.h |
edge.h |
efc.h |
effh.h |
eht.h |
elemop.h |
energy.h |
eri.h |
except.h |
exenv.h |
extent.h |
chemistry/qc/basis/f77sym.h |
chemistry/qc/mbptr12/f77sym.h |
math/scmat/f77sym.h |
fdhess.h |
file.h |
fileproc.h |
files.h |
find.h |
cints/fjt.h |
intv3/fjt.h |
flags.h |
formio.h |
formula.h |
function.h |
functional.h |
gaussbas.h |
gaussshell.h |
gbuild.h |
gdiis.h |
GetLongOpt.h |
globcnt.h |
gpetite.h |
grt.h |
hcube.h |
hess.h |
hsoshf.h |
hsoshftmpl.h |
hsosks.h |
hsoskstmpl.h |
hsosscf.h |
hsosv1e1.h |
identity.h |
ieee.h |
implicit.h |
cints/int1e.h |
intcca/int1e.h |
intv3/int1e.h |
cints/int2e.h |
intcca/int2e.h |
intv3/int2e.h |
intcca.h |
integral.h |
integrator.h |
intv3.h |
ipv2.h |
ipv2_parse.h |
ipv2_scan.h |
isosurf.h |
keyval.h |
keyvalval.h |
lapack.h |
lbgbuild.h |
lgbuild.h |
bin/molrender/LIBS.h |
bin/mpqc/LIBS.h |
bin/scls/LIBS.h |
bin/scpr/LIBS.h |
lib/chemistry/cca/LIBS.h |
lib/chemistry/molecule/LIBS.h |
lib/chemistry/qc/basis/LIBS.h |
lib/chemistry/qc/cints/LIBS.h |
lib/chemistry/qc/dft/LIBS.h |
lib/chemistry/qc/intcca/LIBS.h |
lib/chemistry/qc/intv3/LIBS.h |
lib/chemistry/qc/mbpt/LIBS.h |
lib/chemistry/qc/mbptr12/LIBS.h |
lib/chemistry/qc/oint3/LIBS.h |
lib/chemistry/qc/psi/LIBS.h |
lib/chemistry/qc/scf/LIBS.h |
lib/chemistry/qc/wfn/LIBS.h |
lib/chemistry/solvent/LIBS.h |
lib/math/isosurf/LIBS.h |
lib/math/optimize/LIBS.h |
lib/math/scmat/LIBS.h |
lib/math/symmetry/LIBS.h |
lib/util/class/LIBS.h |
lib/util/container/LIBS.h |
lib/util/group/LIBS.h |
lib/util/keyval/LIBS.h |
lib/util/misc/LIBS.h |
lib/util/options/LIBS.h |
lib/util/ref/LIBS.h |
lib/util/render/LIBS.h |
lib/util/state/LIBS.h |
linearr12.h |
chemistry/molecule/linkage.h |
chemistry/qc/cints/linkage.h |
chemistry/qc/dft/linkage.h |
chemistry/qc/intcca/linkage.h |
chemistry/qc/mbpt/linkage.h |
chemistry/qc/mbptr12/linkage.h |
chemistry/qc/psi/linkage.h |
chemistry/qc/scf/linkage.h |
chemistry/qc/wfn/linkage.h |
math/optimize/linkage.h |
math/scmat/linkage.h |
util/group/linkage.h |
util/render/linkage.h |
util/state/linkage.h |
local.h |
localdef.h |
ltbgrad.h |
cints/macros.h |
intcca/macros.h |
intv3/macros.h |
material.h |
math.h |
matrix.h |
matrix3.h |
matrix_i.h |
mbpt.h |
mbptr12.h |
mcsearch.h |
memamsg.h |
memarmci.h |
memiter.h |
memmsg.h |
memmtmpi.h |
memory.h |
memproc.h |
memrdma.h |
memshm.h |
message.h |
messaget.h |
messmpi.h |
messshm.h |
moindexspace.h |
molecule.h |
molfreq.h |
molrender.h |
molshape.h |
mops.h |
mp2extrap.h |
mp2r12_energy.h |
MPQC_Chemistry_Molecule_Impl.hh |
MPQC_Chemistry_MoleculeViewer_Impl.hh |
MPQC_Chemistry_QC_Model_Impl.hh |
MPQC_Chemistry_QC_ModelFactory_Impl.hh |
MPQC_ChemistryOpt_CoordinateModel_Impl.hh |
MPQC_ComponentClassDescription_Impl.hh |
MPQC_ComponentFactory_Impl.hh |
MPQC_GaussianBasis_Atomic_Impl.hh |
MPQC_GaussianBasis_Molecular_Impl.hh |
MPQC_GaussianBasis_Shell_Impl.hh |
MPQC_IntegralEvaluator2_Impl.hh |
MPQC_IntegralEvaluator3_Impl.hh |
MPQC_IntegralEvaluator4_Impl.hh |
MPQC_IntegralEvaluatorFactory_Impl.hh |
MPQC_Physics_Units_Impl.hh |
MPQC_SimpleDriver_Impl.hh |
mpqcin.h |
mstate.h |
newstring.h |
newton.h |
obint.h |
obintcca.h |
obintcints.h |
obintv3.h |
object.h |
obwfn.h |
offset.h |
oogl.h |
opt.h |
orbital.h |
orthog.h |
osshf.h |
osshftmpl.h |
ossscf.h |
pairiter.h |
parameter.h |
parse.h |
petite.h |
pointgrp.h |
polygons.h |
polylines.h |
polysphere.h |
pool.h |
pregtime.h |
primpairs.h |
print_scmat_norms.h |
class/proxy.h |
state/proxy.h |
psiexenv.h |
psifile11.h |
psifiles.h |
psiinput.h |
psio.h |
psiwfn.h |
qnewton.h |
r12_amps.h |
r12ia.h |
r12ia_memgrp.h |
r12ia_mpiiofile.h |
r12ia_node0file.h |
r12int_eval.h |
ref.h |
reftestx.h |
regtime.h |
render.h |
repl.h |
result.h |
rnglock.h |
scconfig.h |
scdirlist.h |
scexception.h |
scextrap.h |
scextrapmat.h |
scf.h |
scflocal.h |
scfops.h |
scint.h |
shape.h |
shellpairs.h |
shellrot.h |
simple.h |
sobasis.h |
socket.h |
sointegral.h |
solvent.h |
sphere.h |
stack.h |
state.h |
state_bin.h |
state_file.h |
state_text.h |
statein.h |
stateio.h |
stateout.h |
static.h |
steep.h |
cints/storage.h |
intv3/storage.h |
string.h |
surf.h |
svd.h |
symmint.h |
taylor.h |
tbgrad.h |
tbint.h |
tbintcca.h |
tbintcints.h |
tbintv3.h |
tchf.h |
tchftmpl.h |
tcscf.h |
cints/tform.h |
intcca/tform.h |
tformv3.h |
thpthd.h |
thpuma.h |
thread.h |
timer.h |
topology.h |
chemistry/qc/basis/transform.h |
math/optimize/transform.h |
util/render/transform.h |
transform_123inds.h |
transform_12inds.h |
transform_13inds.h |
transform_factory.h |
transform_ijxy.h |
transform_ikjy.h |
transform_ixjy.h |
transform_tbint.h |
translate.h |
triangle.h |
tricoef.h |
twobodygrid.h |
types.h |
uhf.h |
uhftmpl.h |
uks.h |
ukstmpl.h |
units.h |
update.h |
uscf.h |
chemistry/qc/mbpt/util.h |
math/scmat/util.h |
utils.h |
vector3.h |
vector3_i.h |
version.h |
vertex.h |
volume.h |
volume_i.h |
vxb_eval_info.h |
wfn.h |