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MPQC File List
Here is a list of all documented files with brief descriptions:
abstract.h
[code]
accum.h
[code]
algebra3.h
[code]
animate.h
[code]
appearance.h
[code]
ar2tem.h
[code]
chemistry/qc/intv3/array.h
[code]
util/container/array.h
[code]
util/state/array.h
[code]
artem.h
[code]
atominfo.h
[code]
avlmap.h
[code]
avlset.h
[code]
basis.h
[code]
bem.h
[code]
bitarray.h
[code]
blkiter.h
[code]
block.h
[code]
blocked.h
[code]
bug.h
[code]
build.h
[code]
bzerofast.h
[code]
carray.h
[code]
cartiter.h
[code]
cartitv3.h
[code]
class.h
[code]
classdefs.h
[code]
classkeydefs.h
[code]
classldefs.h
[code]
clhf.h
[code]
clhftmpl.h
[code]
clks.h
[code]
clkstmpl.h
[code]
clscf.h
[code]
cmatrix.h
[code]
color.h
[code]
compare.h
[code]
comptmpl.h
[code]
compute.h
[code]
conv.h
[code]
coor.h
[code]
corrtab.h
[code]
csgrad34qb.h
[code]
csgrade12.h
[code]
csgrads2pdm.h
[code]
density.h
[code]
dercent.h
[code]
diis.h
[code]
dim.h
[code]
dist.h
[code]
disthql.h
[code]
distsh.h
[code]
eavlmmap.h
[code]
edge.h
[code]
edgedefs.h
[code]
efc.h
[code]
effh.h
[code]
eht.h
[code]
elemop.h
[code]
energy.h
[code]
energyi.h
[code]
exenv.h
[code]
extent.h
[code]
fdhess.h
[code]
files.h
[code]
find.h
[code]
fjt.h
[code]
flags.h
[code]
formio.h
[code]
formula.h
[code]
function.h
[code]
functional.h
[code]
functioni.h
[code]
gaussbas.h
[code]
gaussshell.h
[code]
gbuild.h
[code]
gdiis.h
[code]
GetLongOpt.h
[code]
globcnt.h
[code]
hcube.h
[code]
hess.h
[code]
hsoshf.h
[code]
hsoshftmpl.h
[code]
hsosks.h
[code]
hsoskstmpl.h
[code]
hsosscf.h
[code]
hsosv1e1.h
[code]
identity.h
[code]
ieee.h
[code]
implicit.h
[code]
int1e.h
[code]
int2e.h
[code]
integral.h
[code]
integrator.h
[code]
intv3.h
[code]
ipv2.h
[code]
ipv2_scan.h
[code]
isosurf.h
[code]
keyval.h
[code]
keyvaldefs.h
[code]
keyvali.h
[code]
keyvalval.h
[code]
lbgbuild.h
[code]
lgbuild.h
[code]
bin/molrender/LIBS.h
[code]
bin/mpqc/LIBS.h
[code]
bin/orbixme/LIBS.h
[code]
bin/scls/LIBS.h
[code]
bin/scpr/LIBS.h
[code]
lib/chemistry/molecule/LIBS.h
[code]
lib/chemistry/qc/basis/LIBS.h
[code]
lib/chemistry/qc/dft/LIBS.h
[code]
lib/chemistry/qc/intv3/LIBS.h
[code]
lib/chemistry/qc/mbpt/LIBS.h
[code]
lib/chemistry/qc/oint3/LIBS.h
[code]
lib/chemistry/qc/psi/LIBS.h
[code]
lib/chemistry/qc/scf/LIBS.h
[code]
lib/chemistry/qc/wfn/LIBS.h
[code]
lib/chemistry/solvent/LIBS.h
[code]
lib/math/isosurf/LIBS.h
[code]
lib/math/linpackd/LIBS.h
[code]
lib/math/optimize/LIBS.h
[code]
lib/math/scmat/LIBS.h
[code]
lib/math/symmetry/LIBS.h
[code]
lib/util/class/LIBS.h
[code]
lib/util/container/LIBS.h
[code]
lib/util/group/LIBS.h
[code]
lib/util/keyval/LIBS.h
[code]
lib/util/misc/LIBS.h
[code]
lib/util/options/LIBS.h
[code]
lib/util/ref/LIBS.h
[code]
lib/util/render/LIBS.h
[code]
lib/util/state/LIBS.h
[code]
chemistry/molecule/linkage.h
[code]
chemistry/qc/dft/linkage.h
[code]
chemistry/qc/mbpt/linkage.h
[code]
chemistry/qc/psi/linkage.h
[code]
chemistry/qc/scf/linkage.h
[code]
chemistry/qc/wfn/linkage.h
[code]
math/optimize/linkage.h
[code]
math/scmat/linkage.h
[code]
util/group/linkage.h
[code]
util/render/linkage.h
[code]
util/state/linkage.h
[code]
linpackd.h
[code]
local.h
[code]
localdef.h
[code]
ltbgrad.h
[code]
macros.h
[code]
material.h
[code]
matrix.h
[code]
matrix3.h
[code]
matrix_i.h
[code]
mbpt.h
[code]
memamsg.h
[code]
memiter.h
[code]
memmsg.h
[code]
memmtmpi.h
[code]
memory.h
[code]
memproc.h
[code]
memshm.h
[code]
message.h
[code]
messaget.h
[code]
messmpi.h
[code]
messshm.h
[code]
molecule.h
[code]
moleculei.h
[code]
molfreq.h
[code]
molrender.h
[code]
molshape.h
[code]
mops.h
[code]
mp2extrap.h
[code]
mpqcin.h
[code]
mstate.h
[code]
newstring.h
[code]
newton.h
[code]
obint.h
[code]
obintv3.h
[code]
object.h
[code]
obwfn.h
[code]
offset.h
[code]
oogl.h
[code]
opt.h
[code]
optimizei.h
[code]
orbital.h
[code]
osshf.h
[code]
osshftmpl.h
[code]
ossscf.h
[code]
parameter.h
[code]
petite.h
[code]
pointgrp.h
[code]
polygons.h
[code]
polylines.h
[code]
polysphere.h
[code]
pool.h
[code]
pregtime.h
[code]
class/proxy.h
[code]
state/proxy.h
[code]
psiexenv.h
[code]
psifile11.h
[code]
psiinput.h
[code]
psiwfn.h
[code]
qnewton.h
[code]
ref.h
[code]
reftestx.h
[code]
regtime.h
[code]
render.h
[code]
repl.h
[code]
result.h
[code]
rnglock.h
[code]
scextrap.h
[code]
scextrapmat.h
[code]
scf.h
[code]
scflocal.h
[code]
scfops.h
[code]
scint.h
[code]
shape.h
[code]
shellrot.h
[code]
simple.h
[code]
sobasis.h
[code]
sointegral.h
[code]
solvent.h
[code]
sphere.h
[code]
ssar2tem.h
[code]
ssartem.h
[code]
stack.h
[code]
state.h
[code]
state_bin.h
[code]
state_file.h
[code]
state_net.h
[code]
state_text.h
[code]
statein.h
[code]
stateio.h
[code]
stateout.h
[code]
steep.h
[code]
storage.h
[code]
surf.h
[code]
symmint.h
[code]
taylor.h
[code]
tbgrad.h
[code]
tbint.h
[code]
tbintv3.h
[code]
tchf.h
[code]
tchftmpl.h
[code]
tcscf.h
[code]
tformv3.h
[code]
thpthd.h
[code]
thpuma.h
[code]
thread.h
[code]
timer.h
[code]
topology.h
[code]
chemistry/qc/basis/transform.h
[code]
math/optimize/transform.h
[code]
util/render/transform.h
[code]
translate.h
[code]
triangle.h
[code]
tricoef.h
[code]
types.h
[code]
uhf.h
[code]
uhftmpl.h
[code]
uks.h
[code]
ukstmpl.h
[code]
units.h
[code]
update.h
[code]
uscf.h
[code]
util.h
[code]
utils.h
[code]
vector3.h
[code]
vector3_i.h
[code]
version.h
[code]
vertex.h
[code]
volume.h
[code]
volume_i.h
[code]
wfn.h
[code]
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