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--- developers:abivars.yml [2017/08/08 08:05] – [Specifications for the abinit_vars.yml file] Xavier Gonze
+++ developers:abivars.yml [2019/10/24 02:42] (current) – removed Matteo Giantomassi
@@ Line 1: / Line 1: @@
-====== Specifications for the abinit_vars.yml file ======
-As values in the ~abinit/doc/input_variables/origin_files/abinit_vars.yml file, you can specify numbers, string, arrays, following the standard specification of YAML :
-  * [[http://en.wikipedia.org/wiki/YAML| Wikipedia YAML page]]
-  * [[http://www.yaml.org/|The official YAML page]]
-Several "types" are defined to allow sufficient flexibility in the specifications, as follows.
-===== !variable =====
-It is the type that contains the other fields.
-  * abivarname : the name of the variable. Note that the name for input variables of the executables anaddb, aim and optic is always finished with @anaddb, @aim or @optic.
-  * characteristics : possibly, a specific characteristics of the input variable. To be chosen among the names in ~abinit/doc/input_variables/origin_files/characteristics.yml .
-  * commentdefault : possibly, some comment about a default value.
-  * commentdims : possibly, some comment about the dimension of an array.
-  * defaultval : must be an integer or real value, possibly specified using the types presented below (e.g. !multiplevalue)
-  * dimensions : either scalar or a list of dimensions, using YML syntax.
-  * excludes : possible excluded values
-  * mnemonics : a longer description of the variable role, in a few words
-  * requires : the input variable is relevant only if this condition is fulfilled
-  * text : free text describing the input variable
-  * topics : a string, specified in [[developers:topics_and_tribes]]
-  * varset : a unique "set of variables" to which the variable belong. To be chosen among the names in ~abinit/doc/input_variables/origin_files/varsets.yml .
-  * vartype : to be chosen among integer, real or string
-If there is no information of a type for a specific variable, its value must be "null".
-===== !multiplevalue =====
-This is the equivalent to the X*Y syntax in fortran.
-<code>
-  X*Y
-</code>
-will become
-<code>
-  !multiplevalue
-    number : X
-    value : Y
-</code>
-If X is null, it means that you want to do *Y (all Y)
-===== !range =====
-<code>
-  !range
-     start: 1
-     stop: N
-</code>
-As a default value, it means that the default value is 1,2, ... N
-===== !valuewithconditions =====
-This type allows to specify conditions on values:
-<code>
-!valuewithconditions
-    defaultval: -[[diemix]]
-    '70 < [[iprcel]] and [[iprcel]] < 80': '[[diemix]]'
-    '[[iscf]]<10': '[[diemix]]'
-    '[[iprcel]]==0': '[[diemix]]'
-</code>
-defaultval is the default value if no condition is fulfilled.
-As condition, please use strings with the most basic expressions, containing <, < =, >, >=, ==, !=, +, -, *, /, etc to allow for further simple parsing !
-As a convention, we use "pythonic" way for expressions, so you can use "or", "and" and "in" also as %%[[varname]]%% in [1,2,5] for example ...
-===== !valuewithunit =====
-This type allows to specify values with units:
-<code>
- !valuewithunit
-        units: eV
-        value: 100.0
-</code>
-means "100 eV".
-===== Constraints between variables =====
-In the YML file (and via the GUI), there are some constraints between variables that have been introduced.
-You can specifiy "requires: CONDITION" and "excludes: CONDITION" in the YML file (or fill the fields requires and excludes in the GUI).
-If a varname has "requires: CONDITION", it means that the variable is only relevant when CONDITION is fulfilled.
-If a varname has as "excludes: CONDITION", it means that the specification of the variable in the input file forbids the CONDITION to be fulfilled.
-===== Strings =====
-Pay attention to strings. If it is recognized as string directly, you don't need ticks (' ').
-Otherwise, you need to put ticks.
-For example, if you want to use a link as a value, use a link shortcut like <nowiki>[[abivarname]]</nowiki>. See the doc about link shortcuts at [[developers:link_shortcuts]].