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A
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B
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C
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D
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E
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F
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G
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I
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J
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K
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M
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N
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O
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P
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Q
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R
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S
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T
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U
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V
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W
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X
A
AbstractJSONParser (class in dfttools.parsers.generic)
AbstractParser (class in dfttools.parsers.generic)
add() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
alat() (dfttools.parsers.qe.Output method)
angles() (dfttools.types.UnitCell method)
apply() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
as_grid() (dfttools.types.UnitCell method)
as_unitCell() (dfttools.types.Grid method)
B
Bands (class in dfttools.parsers.elk)
(class in dfttools.parsers.openmx)
(class in dfttools.parsers.qe)
bands (in module dfttools.parsers.elk)
(in module dfttools.parsers.openmx)
(in module dfttools.parsers.qe)
bands() (dfttools.parsers.elk.Bands method)
(dfttools.parsers.openmx.Bands method)
(dfttools.parsers.qe.Bands method)
(dfttools.parsers.qe.Output method)
(dfttools.parsers.vasp.Output method)
Basis (class in dfttools.types)
basis() (dfttools.parsers.openmx.JSON_DOS method)
(dfttools.parsers.qe.Proj method)
C
captions() (dfttools.parsers.openmx.Bands method)
cartesian() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
closest() (dfttools.parsers.generic.StringParser method)
combine_arrays() (dfttools.types.Grid static method)
Cond (class in dfttools.parsers.qe)
cond (in module dfttools.parsers.qe)
convergence() (dfttools.parsers.openmx.Output method)
copy() (dfttools.types.Basis method)
(dfttools.types.Grid method)
(dfttools.types.UnitCell method)
cube (in module dfttools.parsers.structure)
cut() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
D
dfttools.formatters (module)
dfttools.parsers.elk (module)
dfttools.parsers.generic (module)
dfttools.parsers.openmx (module)
dfttools.parsers.qe (module)
dfttools.parsers.structure (module)
dfttools.parsers.vasp (module)
dfttools.presentation (module)
dfttools.simple (module)
dfttools.types (module)
diamond_basis() (in module dfttools.types)
discard() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
distance() (dfttools.parsers.generic.StringParser method)
distances() (dfttools.types.UnitCell method)
E
edges() (dfttools.types.Basis method)
energies() (dfttools.parsers.openmx.JSON_DOS method)
energy() (dfttools.parsers.openmx.Transmission method)
explicit_coordinates() (dfttools.types.Grid method)
F
faces() (dfttools.types.Basis method)
fermi() (dfttools.parsers.openmx.Bands method)
(dfttools.parsers.qe.Output method)
(dfttools.parsers.vasp.Output method)
floatAfter() (dfttools.parsers.generic.StringParser method)
force() (dfttools.parsers.qe.Output method)
from_json() (dfttools.types.Basis static method)
(dfttools.types.UnitCell static method)
G
GaussianCube (class in dfttools.parsers.structure)
generate_path() (dfttools.types.Basis method)
get_all_parsers() (in module dfttools.simple)
getFloat() (dfttools.parsers.openmx.Input method)
getInt() (dfttools.parsers.openmx.Input method)
getNonSpaced() (dfttools.parsers.openmx.Input method)
getWord() (dfttools.parsers.openmx.Input method)
goto() (dfttools.parsers.generic.StringParser method)
Grid (class in dfttools.types)
grid() (dfttools.parsers.structure.GaussianCube method)
grids() (dfttools.parsers.structure.XSF method)
guess_parser() (in module dfttools.simple)
I
Input (class in dfttools.parsers.elk)
(class in dfttools.parsers.openmx)
(class in dfttools.parsers.qe)
input (in module dfttools.parsers.elk)
(in module dfttools.parsers.openmx)
(in module dfttools.parsers.qe)
intAfter() (dfttools.parsers.generic.StringParser method)
interpolate() (dfttools.types.UnitCell method)
interpolate_to_array() (dfttools.types.Grid method)
interpolate_to_cell() (dfttools.types.Grid method)
interpolate_to_grid() (dfttools.types.Grid method)
interpolate_to_path() (dfttools.types.Grid method)
isolated() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
isolated2() (dfttools.types.UnitCell method)
J
joint_populations() (in module dfttools.parsers.openmx)
JSON_DOS (class in dfttools.parsers.openmx)
K
kp_path() (dfttools.parsers.elk.Input method)
ky() (dfttools.parsers.openmx.JSON_DOS method)
kz() (dfttools.parsers.openmx.JSON_DOS method)
M
matchAfter() (dfttools.parsers.generic.StringParser method)
matplotlib2svgwrite() (in module dfttools.presentation)
matplotlib_bands() (in module dfttools.presentation)
matplotlib_bands_density() (in module dfttools.presentation)
matplotlib_scalar() (in module dfttools.presentation)
N
namelists() (dfttools.parsers.qe.Input method)
nat() (dfttools.parsers.openmx.Output method)
ne() (dfttools.parsers.qe.Bands method)
neutral_charge() (dfttools.parsers.openmx.Output method)
nextFloat() (dfttools.parsers.generic.StringParser method)
nextInt() (dfttools.parsers.generic.StringParser method)
nextLine() (dfttools.parsers.generic.StringParser method)
nextMatch() (dfttools.parsers.generic.StringParser method)
nk() (dfttools.parsers.qe.Bands method)
normalized() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
O
openmx_input() (in module dfttools.formatters)
Output (class in dfttools.parsers.elk)
(class in dfttools.parsers.openmx)
(class in dfttools.parsers.qe)
(class in dfttools.parsers.vasp)
output (in module dfttools.parsers.elk)
(in module dfttools.parsers.openmx)
(in module dfttools.parsers.qe)
P
packed() (dfttools.types.UnitCell method)
parse (in module dfttools.parsers.generic)
parse() (in module dfttools.simple)
pop() (dfttools.parsers.generic.StringParser method)
populations() (dfttools.parsers.openmx.Output method)
(in module dfttools.parsers.openmx)
present() (dfttools.parsers.generic.StringParser method)
Proj (class in dfttools.parsers.qe)
proj (in module dfttools.parsers.qe)
pyscf_cell() (in module dfttools.formatters)
Q
qe_input() (in module dfttools.formatters)
R
reciprocal() (dfttools.parsers.elk.Output method)
(dfttools.types.Basis method)
reciprocal_data() (dfttools.parsers.qe.Bands method)
reorder_vectors() (dfttools.types.Basis method)
(dfttools.types.Grid method)
(dfttools.types.UnitCell method)
repeated() (dfttools.types.Basis method)
reset() (dfttools.parsers.generic.StringParser method)
rotated() (dfttools.types.Basis method)
routineError() (dfttools.parsers.qe.Output method)
S
save() (dfttools.parsers.generic.StringParser method)
scf_accuracy() (dfttools.parsers.qe.Output method)
scf_failed() (dfttools.parsers.qe.Output method)
scf_steps() (dfttools.parsers.qe.Output method)
select() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
siesta_input() (in module dfttools.formatters)
size() (dfttools.types.Grid method)
(dfttools.types.UnitCell method)
skip() (dfttools.parsers.generic.StringParser method)
skipAll() (dfttools.parsers.generic.StringParser method)
solvers() (dfttools.parsers.openmx.Output method)
species() (dfttools.types.UnitCell method)
stack() (dfttools.types.Basis method)
(dfttools.types.Grid method)
(dfttools.types.UnitCell method)
startOfLine() (dfttools.parsers.generic.StringParser method)
StringParser (class in dfttools.parsers.generic)
Structure (class in dfttools.parsers.vasp)
success() (dfttools.parsers.qe.Output method)
supercell() (dfttools.types.UnitCell method)
svgwrite_unit_cell() (in module dfttools.presentation)
T
tag_method() (in module dfttools.simple)
tetrahedron_density() (dfttools.types.Grid method)
threads() (dfttools.parsers.qe.Output method)
time() (dfttools.parsers.qe.Output method)
to_json() (dfttools.types.Basis method)
total() (dfttools.parsers.openmx.Output method)
(dfttools.parsers.openmx.Transmission method)
(dfttools.parsers.qe.Output method)
transform_from() (dfttools.types.Basis method)
transform_from_cartesian() (dfttools.types.Basis method)
transform_to() (dfttools.types.Basis method)
transform_to_cartesian() (dfttools.types.Basis method)
Transmission (class in dfttools.parsers.openmx)
transmission (in module dfttools.parsers.openmx)
transmission() (dfttools.parsers.qe.Cond method)
U
uniform() (dfttools.types.Grid static method)
UnitCell (class in dfttools.types)
unitCell() (dfttools.parsers.elk.Input method)
(dfttools.parsers.elk.Output method)
(dfttools.parsers.openmx.Input method)
(dfttools.parsers.qe.Input method)
(dfttools.parsers.structure.GaussianCube method)
(dfttools.parsers.structure.XYZ method)
unitcells (in module dfttools.parsers.elk)
unitCells() (dfttools.parsers.elk.UnitCellsParser method)
(dfttools.parsers.openmx.Output method)
(dfttools.parsers.qe.Output method)
(dfttools.parsers.structure.XSF method)
UnitCellsParser (class in dfttools.parsers.elk)
units_aware() (dfttools.types.Basis method)
V
valid_filename() (dfttools.parsers.generic.AbstractParser static method)
valid_header() (dfttools.parsers.generic.AbstractParser static method)
version() (dfttools.parsers.openmx.Output method)
vertices() (dfttools.types.Basis method)
volume() (dfttools.types.Basis method)
W
weights() (dfttools.parsers.openmx.JSON_DOS method)
(dfttools.parsers.qe.Proj method)
X
XSF (class in dfttools.parsers.structure)
xsf (in module dfttools.parsers.structure)
xsf_grid() (in module dfttools.formatters)
xsf_structure() (in module dfttools.formatters)
XYZ (class in dfttools.parsers.structure)
xyz (in module dfttools.parsers.structure)
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