=========================================
Extensible periodic table of the elements
=========================================
Release 1.3, Dec 7, 2010
This package provides a periodic table of the elements with
support for mass, density and xray/neutron scattering information.
Masses, densities and natural abundances come from the
NIST Physics Laboratory, but do not represent a critical
evaluation by NIST scientists.
Neutron scattering calculations use values collected by the
Atomic Institute of the Austrian Universities. These values
do corresponding to those from other packages, though there
are some differences depending to the tables used. Bound
coherent neutron scattering for gold in particular is significantly
different from older value: 7.63(6) as measured in 1974
compared to 7.90(7) as measured in 1990.
X-ray scattering calculations use a combination of empirical and
theoretical values from the LBL Center for X-ray Optics. These
values differ from those given in other sources such as the
International Tables for Crystallography, Volume C, and so may
give different results from other packages.
Change history
==============
1.3 2010-12-05
---------------
New:
* mix_by_weight and mix_by_volume formula constructors
* use natural density to set density for isotope specific formulas
* add neutron_scattering function which returns xs, sld and penetration depth
Modified:
* need wavelength= or energy= for xray/neutron sld
* improved docs and testing
1.2 2010-04-28
---------------
New:
* support pickle: id(H) == id(loads(dumps(H)))
* support ions, with magnetic form factors and x-ray f0 scattering factor
* support py2exe wrappers
* allow density to be calculated from structure (bcc, fcc, hcp, cubic, diamond)
* estimate molecular volume
* support private tables with some values replaced by application
Modified:
* rename package periodictable
* rename table to periodictable.elements
* neutron sld returns real and imaginary coherent and incoherent
instead of coherent, absorption and incoherent
* bug fix: sld for H[2] was wrong when queried before sld for H.
* remove CrysFML ionic radius definitions
1.1 2009-01-20
---------------
Modified:
* Restructure package, separating tests into different directory
* When defining table extensions, you should now do::
from elements.core import periodic_table, Element, Isotope
rather than::
from elements import periodic_table
from elements.elements import Element, Isotope
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PyPI 官网下载 | periodictable-1.3.0.tar.gz (178个子文件)
make.bat 3KB
epydoc.cfg 4KB
setup.cfg 59B
site.css 8KB
f0_WaasKirf.dat 41KB
nsfreferences.html 31KB
layout.html 524B
Makefile 3KB
read.me 2KB
mo.nff 23KB
si.nff 20KB
be.nff 20KB
gd.nff 18KB
la.nff 18KB
ru.nff 15KB
sc.nff 15KB
h.nff 15KB
he.nff 14KB
li.nff 14KB
b.nff 14KB
na.nff 14KB
w.nff 13KB
c.nff 13KB
ne.nff 13KB
n.nff 13KB
mg.nff 13KB
ti.nff 13KB
o.nff 13KB
f.nff 13KB
al.nff 13KB
ra.nff 13KB
p.nff 13KB
fr.nff 13KB
pb.nff 13KB
po.nff 13KB
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bi.nff 13KB
ac.nff 13KB
ar.nff 13KB
rn.nff 13KB
tl.nff 13KB
yb.nff 13KB
hg.nff 13KB
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lu.nff 13KB
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nd.nff 13KB
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pm.nff 13KB
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tc.nff 13KB
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ga.nff 13KB
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br.nff 13KB
pd.nff 13KB
v.nff 13KB
cr.nff 13KB
fe.nff 13KB
mn.nff 13KB
co.nff 13KB
ni.nff 13KB
au.nff 13KB
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