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Merge pull request #53 from phonopy/release
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Set version 0.8.0
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atztogo authored Jan 4, 2025
2 parents 63e3216 + 855f37c commit 9fd8aff
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5 changes: 5 additions & 0 deletions doc/changelog.md
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# Change Log

## Jan-5-2024: Version 0.8.0

- Refactoring of `Phelel` class
- Major update of documentation

## Dec-31-2024: Version 0.7.0

- Maintenance release to follow the change of phonopy.
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4 changes: 2 additions & 2 deletions doc/conf.py
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copyright = "2024, Atsushi Togo"
author = "Atsushi Togo"

version = "0.7"
release = "0.7.0"
version = "0.8"
release = "0.8.0"

# -- General configuration ---------------------------------------------------
# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration
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14 changes: 7 additions & 7 deletions doc/phelel-command.md
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Expand Up @@ -8,7 +8,7 @@ phonon calculations.

The following example demonstrates operations using the `phelel` command:

```bash
```
% phelel -d --dim 2 2 2 -c POSCAR-unitcell --pa auto --pm
# After running VASP calculations in directories corresponding to displacements:
Expand All @@ -21,7 +21,7 @@ The following example demonstrates operations using the `phelel` command:
Supercells with displacements can be generated by combining the following
command options. For example:

```bash
```
% phelel -d --dim 2 2 2 -c POSCAR-unitcell --pa auto --pm
```

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matrix, meaning each axis of the input unit cell is simply extended by the
corresponding integer factor.

```bash
```
% phelel --dim 2 2 2 [OPTIONS]
```

```bash
```
% phelel --dim 0 1 1 1 0 1 1 1 0 [OPTIONS]
```

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Unit cell structure is specified.

```bash
```
% phelel -c POSCAR-unitcell [OPTIONS]
```

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option specified, both directions are included in the generated supercells with
dispacements. Use of this option is recommended.

```bash
```
% phelel --pm [OPTIONS]
```

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in cetain files. Those are read and then the derivatives are computed by the
following command option, e.g.,

```bash
```
% phelel --cd disp-000 disp-001 disp-002 disp-003 disp-004
```

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2 changes: 1 addition & 1 deletion src/phelel/version.py
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"""Version number."""

__version__ = "0.7.0"
__version__ = "0.8.0"

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