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Changelog and documentation update
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PKua007 committed Sep 20, 2023
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14 changes: 9 additions & 5 deletions CHANGELOG.md
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Expand Up @@ -25,13 +25,17 @@ library (later, with Python bindings as well).
* Documentation directory `doc/` renamed to `docs/` (needed for GitHub to recognize
[contributing.md](docs/contributing.md)).
* *Distance* definition is now generalized to *distance vector* in [binning types](docs/observables.md#binning-types).
* [Shape functions](docs/observables.md#shape-functions) can now be multivalued.
* [Class `q_tensor`](docs/observables.md#class-qtensor) shape function can now also output all three components of the
axis.

### Added

* Global/local switch for [class `bond_order`](docs/observables.md#class-bond_order).
* [Class `s220`](docs/observables.md#class-s220) and [class `s221`](docs/observables.md#class-s221) correlation
functions.
* New [class `linear`](docs/observables.md#class-linear) binning type.
* Added global/local switch for [class `bond_order`](docs/observables.md#class-bond_order).
* Added [class `s220`](docs/observables.md#class-s220) and [class `s221`](docs/observables.md#class-s221) correlation functions.
* Added [class `linear`](docs/observables.md#class-linear) binning type.
* Added [class `q_tensor`](docs/observables.md#class-q_tensor) shape function.
* Added [class `bin_averaged_function`](docs/observables.md#class-bin_averaged_function) bulk observable.


## [1.1.0] - 2023-06-21
Expand All @@ -45,7 +49,7 @@ library (later, with Python bindings as well).

* Added [v1] and [latest] tags.
* Added MinGW support.
* Added `randomize_rotation` lattice transformer.
* Added [class `randomize_rotation`](docs/initial-arrangement.md#class-randomize_rotation) lattice transformer.


## [1.0.0] - 2023-06-18
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18 changes: 18 additions & 0 deletions docs/observables.md
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Expand Up @@ -567,6 +567,8 @@ where prob(*f*|*r*) is a conditional probability density of correlation function

### Class `bin_averaged_function`

> Since v1.2.0
```python
bin_averaged_function(
function,
Expand Down Expand Up @@ -685,6 +687,9 @@ There are the following types of binning:
* [Class `layerwise_radial`](#class-layerwise_radial)
* [Class `linear`](#class-linear)

> Note: *distance vector* was introduced in v1.2.0 for observables such as [class `s221`](#class-s221). Previously only
> its norm (the *distance*) was considered.

### Class `radial`

Expand Down Expand Up @@ -724,6 +729,8 @@ a single XY plane, one can use `hkl = [0, 0, 1]`.

### Class `linear`

> Since v1.2.0
```python
linear(
axis,
Expand Down Expand Up @@ -781,6 +788,8 @@ and *j*<sup>th</sup> molecule, determined by the `axis` argument (`"primary"`, `

### Class `s220`

> Since v1.2.0
```python
s220(
axis
Expand All @@ -799,6 +808,8 @@ and *j*<sup>th</sup> molecule, determined by the `axis` argument (`"primary"`, `

### Class `s221`

> Since v1.2.0
```python
s221(
axis
Expand Down Expand Up @@ -848,6 +859,9 @@ Currently, the following correlation functions are available:
* [Class `axis`](#class-axis)
* [Class `q_tensor`](#class-q_tensor)

> Note: shape functions can be multivalued since v1.2.0. Previously, all were single-valued. The distinction between
> *primary name* and *component names* was also introduced in that version.

### Class `const`

Expand Down Expand Up @@ -897,9 +911,13 @@ Shape function returning either a specific component of a specific shape axis or
* `y` - y coordinate of the axis
* `z` - z coordinate of the axis

> Since v1.2.0 `"xyz"` value for the `comp` argument was introduced and was made its default value.

### Class `q_tensor`

> Since v1.2.0
```python
q_tensor(
axis
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