File ElementTypes.h¶
- Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.
See LICENSE.txt for details.
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namespace
Scine
This header file contains functions that allow for common notation for common things that can be done at a different degree of derivatives.
This header contains alias definitions defining which classes to use for the different degrees of derivatives.
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namespace
Utils
Enums
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enum
ElementType
¶ Enum class defining all elements and isotopes.
Values:
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none
= 0
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H
= 1¶
-
He
= 2¶
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Li
= 3¶
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B
= 5¶
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C
= 6¶
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N
= 7¶
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O
= 8¶
-
Ne
= 10¶
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Mg
= 12¶
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Si
= 14¶
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S
= 16¶
-
Cl
= 17¶
-
Ar
= 18¶
-
K
= 19¶
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Ca
= 20¶
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Ti
= 22¶
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V
= 23¶
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Cr
= 24¶
-
Fe
= 26¶
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Ni
= 28¶
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Cu
= 29¶
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Zn
= 30¶
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Ga
= 31¶
-
Ge
= 32¶
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Se
= 34¶
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Br
= 35¶
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Kr
= 36¶
-
Rb
= 37¶
-
Sr
= 38¶
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Zr
= 40¶
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Mo
= 42¶
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Tc
= 43¶
-
Ru
= 44¶
-
Pd
= 46¶
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Ag
= 47¶
-
Cd
= 48¶
-
In
= 49¶
-
Sn
= 50¶
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Sb
= 51¶
-
Te
= 52¶
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Xe
= 54¶
-
Ba
= 56¶
-
La
= 57¶
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Ce
= 58¶
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Nd
= 60¶
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Pm
= 61¶
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Sm
= 62¶
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Eu
= 63¶
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Gd
= 64¶
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Dy
= 66¶
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Er
= 68¶
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Yb
= 70¶
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Lu
= 71¶
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Hf
= 72¶
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Ta
= 73¶
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W
= 74¶
-
Re
= 75¶
-
Os
= 76¶
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Ir
= 77¶
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Pt
= 78¶
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Hg
= 80¶
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Tl
= 81¶
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Pb
= 82¶
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Po
= 84¶
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At
= 85¶
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Rn
= 86¶
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Ra
= 88¶
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Th
= 90¶
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U
= 92¶
-
Np
= 93¶
-
Pu
= 94¶
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Am
= 95¶
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Cm
= 96¶
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Bk
= 97¶
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Cf
= 98¶
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Md
= 101¶
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enum
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namespace