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lines changed Original file line number Diff line number Diff line change 1- .. _math_convention :
21
3- Mathematical notation convention
4- ================================
2+ .. _conventions :
53
6- In `sisl ` we strive to make the documentation as consistent
7- as possible.
8- This should make reading different parts of the documentation
9- simple to understand.
4+ Conventions in sisl
5+ ===================
6+
7+ sisl is a joint effort to enable easy usage of electronic structure
8+ concepts in a scientific setting. Ranging between introductory levels
9+ up to, and including, full scientific employees.
10+
11+ There are certain conventions that we want to enforce in sisl, and
12+ we strive them as far as possible.
13+
14+
15+
16+ .. _conventions.units :
17+
18+ Units
19+ -----
20+
21+ All units in sisl are standardized to:
22+
23+ Length
24+ All units internally and returned are in Angstrom.
25+
26+ Energy
27+ All units internally and returned are in electron volts.
28+
29+
30+ .. _convention.mathematics :
31+
32+ Mathematical notation
33+ ---------------------
1034
1135Here is a list of rules that sisl will strive to adhere to.
1236If you find any inconsistencies in the documentation,
Original file line number Diff line number Diff line change @@ -103,7 +103,7 @@ Since then it has expanded to accommodate a rich set of DFT code input/outputs.
103103 :maxdepth: 3
104104 :caption: Extras
105105
106- math
106+ conventions
107107 release
108108 other
109109 references
Original file line number Diff line number Diff line change @@ -18,18 +18,6 @@ sisl is a Python package providing access to a large variety of things.
1818 exploration of calculations
1919
2020
21- Units
22- -----
23-
24- sisl assumes the user is careful in using consistent units.
25-
26- The internal units in sisl are:
27-
28- * Ang (Angstrom)
29- * eV (electron volt)
30-
31- If you wish to introduce a specific unit, and its default, please open an `issue `_.
32-
3321
3422Data structures
3523---------------
Original file line number Diff line number Diff line change @@ -117,7 +117,7 @@ class tbtncSileTBtrans(_devncSileTBtrans):
117117 are in fortran indexing (1-based), everything is returned as Python indexing (0-based)
118118 when using Python scripts.
119119
120- The mathematical notation described :ref:`here <math_convention >`
120+ The mathematical notation described :ref:`here <convention.mathematics >`
121121 will be used throughout.
122122
123123 A word on DOS normalization:
Original file line number Diff line number Diff line change @@ -34,7 +34,7 @@ class _densitymatrix(SparseOrbitalBZSpin):
3434 def mulliken (self , projection : Literal ["orbital" , "atom" ] = "orbital" ):
3535 r""" Calculate Mulliken charges from the density matrix
3636
37- See :ref:`here <math_convention >` for details on the mathematical notation.
37+ See :ref:`here <convention.mathematics >` for details on the mathematical notation.
3838 Matrices :math:`\boldsymbol\rho` and :math:`\mathbf S` are density
3939 and overlap matrices, respectively.
4040
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