CASM structure mapping
Project description
libcasm-mapping
The libcasm-mapping package is the CASM structure mapping module. This includes:
- Methods for searching for low-cost lattice, atom, and structure mappings, taking into account symmetry, based on the approach described in the paper Thomas, Natarajan, and Van der Ven, npj Computational Materials, 7 (2021), 164.
- Methods for generating interpolated structures based on mapping results
- Methods for generating symmetrically equivalent mappings
- Data structures and methods for creating custom mapping searches
Install
pip install libcasm-mapping
Usage
See the libcasm-mapping docs.
About CASM
The libcasm-mapping package is part of the CASM open source software package, which is designed to perform first-principles statistical mechanical studies of multi-component crystalline solids.
CASM is developed by the Van der Ven group, originally at the University of Michigan and currently at the University of California Santa Barbara.
For more information, see the CASM homepage.
License
GNU Lesser General Public License (LGPL). Please see the file LICENSE for details.
For Contributors
See the CASM contribution guide
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
libcasm-mapping-2.0a1.tar.gz
(575.1 kB
view details)
Built Distributions
File details
Details for the file libcasm-mapping-2.0a1.tar.gz.
File metadata
- Download URL: libcasm-mapping-2.0a1.tar.gz
- Upload date:
- Size: 575.1 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 055693085f18780ab856ba3fe6a579a4ba2875fe5a46ae9524bf7db9ccd7a4ca |
|
| MD5 | b373843aee6ff5525c9793599d66c8b8 |
|
| BLAKE2b-256 | c5ce9e5a34990889848a979f4d630a5c36016c23359184d89a91bb344fc4037c |
File details
Details for the file libcasm_mapping-2.0a1-cp311-cp311-manylinux2014_x86_64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp311-cp311-manylinux2014_x86_64.whl
- Upload date:
- Size: 722.8 kB
- Tags: CPython 3.11
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 0a31916e623e6e8c9c549afffda983a859befccc988b632d27abc9756aff5064 |
|
| MD5 | d01fe689b55bcdd190597c9fd7cc3c0d |
|
| BLAKE2b-256 | 1f69b06714c591d47349298953b3dea687985f32ec39bd8447a8f646601866f3 |
File details
Details for the file libcasm_mapping-2.0a1-cp311-cp311-manylinux2014_aarch64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp311-cp311-manylinux2014_aarch64.whl
- Upload date:
- Size: 669.4 kB
- Tags: CPython 3.11
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | bb3c3385baf61bc2a5aa1f19d2649cbb695d715114ce2c9fd5480a920737ff6c |
|
| MD5 | ab2a2e20e35201bfb8c901a795fa8ec5 |
|
| BLAKE2b-256 | fe01fb967f26bbbd3eeb5284e22a5323c39bc5a4b9a794efb66d87f23de51113 |
File details
Details for the file libcasm_mapping-2.0a1-cp311-cp311-macosx_11_0_arm64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp311-cp311-macosx_11_0_arm64.whl
- Upload date:
- Size: 559.9 kB
- Tags: CPython 3.11, macOS 11.0+ ARM64
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 31b4feffa34c083ef7c4b2f3f86df22e342628c4e5b83c6bda292173a8d2c6f3 |
|
| MD5 | 77a83978a91704d5f08c1bee57c82afd |
|
| BLAKE2b-256 | 6bf276c775892e5274e5b5aea0568113642a6cb008978f8f3f51f750eac719e0 |
File details
Details for the file libcasm_mapping-2.0a1-cp311-cp311-macosx_10_15_x86_64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp311-cp311-macosx_10_15_x86_64.whl
- Upload date:
- Size: 609.7 kB
- Tags: CPython 3.11, macOS 10.15+ x86-64
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 0cc39a3860ea917ce795d25f98a1429f867acadbf0824eb78bfa560c16a928cd |
|
| MD5 | 38f5f6097f6ac64202f946f9553dc0af |
|
| BLAKE2b-256 | cb362cd530f1395b4360e68a2cdfb8a53887cd6c63af7f643dad7e1d879f8fc7 |
File details
Details for the file libcasm_mapping-2.0a1-cp310-cp310-manylinux2014_x86_64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp310-cp310-manylinux2014_x86_64.whl
- Upload date:
- Size: 718.5 kB
- Tags: CPython 3.10
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | af0d8c7aaaa3bdf94a60a9ea9a72c52baf04e555b3629d6271ab673ad8a4d9ef |
|
| MD5 | 758626eaa419909a84195e48b4694552 |
|
| BLAKE2b-256 | 0f4962a6034018e3884754290bccefc5954fe0088798d92aae5b0fb5996a96c2 |
File details
Details for the file libcasm_mapping-2.0a1-cp310-cp310-manylinux2014_aarch64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp310-cp310-manylinux2014_aarch64.whl
- Upload date:
- Size: 665.5 kB
- Tags: CPython 3.10
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | f858dfb5a81ffe993ebf4c976f9a00737f71beacd62cd5c96a7404523b6c110e |
|
| MD5 | be2518359ed523f3faa11427806872ff |
|
| BLAKE2b-256 | f4b7f12c052bed9be5199530c1121d94d764039b4c80525a6fbe4b5b818ba2e1 |
File details
Details for the file libcasm_mapping-2.0a1-cp310-cp310-macosx_11_0_arm64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp310-cp310-macosx_11_0_arm64.whl
- Upload date:
- Size: 556.2 kB
- Tags: CPython 3.10, macOS 11.0+ ARM64
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | c937142457e62106f04682d9e440712c2703a2cfcb33a2644b4de386f63e6fb4 |
|
| MD5 | af2a19c6a12c7e59dcbd2c5da33e1b94 |
|
| BLAKE2b-256 | bf7b99d70ad9c15747e2b53b24d9c2d469e485edfe0407f452886a5ca13cce66 |
File details
Details for the file libcasm_mapping-2.0a1-cp310-cp310-macosx_10_15_x86_64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp310-cp310-macosx_10_15_x86_64.whl
- Upload date:
- Size: 605.8 kB
- Tags: CPython 3.10, macOS 10.15+ x86-64
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | aeb4bd6ad206ba3bfddc644cb5360f13a0f1a7ddc6964950efbeda52f932a524 |
|
| MD5 | b747e455391001bd33eafda339408739 |
|
| BLAKE2b-256 | 260c9c5d4ec70fbc6a413394da46a5dfe17b1089f465f4ec1bb7b7906dc2388b |
File details
Details for the file libcasm_mapping-2.0a1-cp39-cp39-manylinux2014_x86_64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp39-cp39-manylinux2014_x86_64.whl
- Upload date:
- Size: 720.5 kB
- Tags: CPython 3.9
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 6fbc117450a23825dd2469fb08eceb3c2ff670e3fbe65531fbd35e09a1dbd8d9 |
|
| MD5 | 69f29dd59eb8ee30de5219d5ec5c542c |
|
| BLAKE2b-256 | 41aa4ccf00ba7950cc8c9501f264eb5b5d3e2d3b8e527866ed728c583eb36a70 |
File details
Details for the file libcasm_mapping-2.0a1-cp39-cp39-manylinux2014_aarch64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp39-cp39-manylinux2014_aarch64.whl
- Upload date:
- Size: 666.2 kB
- Tags: CPython 3.9
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | eff0a81c0f2d95ea3cf6dfe9305b5b1cdbedfbba8e533e627d852d24568bd7b7 |
|
| MD5 | ed4882274018272cb97a5f2103599c31 |
|
| BLAKE2b-256 | 7b9b9aced978c5a12a10c4111dcb1167c6c9240e8e7ca3800283bed132ab2ac0 |
File details
Details for the file libcasm_mapping-2.0a1-cp39-cp39-macosx_11_0_arm64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp39-cp39-macosx_11_0_arm64.whl
- Upload date:
- Size: 556.5 kB
- Tags: CPython 3.9, macOS 11.0+ ARM64
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 77a0ff123d40693b8a21b35d1b16ec42385a8c638eadd45c4c8ec8741f8cc4fc |
|
| MD5 | ca3fe39532e3e5db337f21790bfb32af |
|
| BLAKE2b-256 | 590cfff578c27760436102316dc638d350af4851367fd25b5a018cd40bdc0d11 |
File details
Details for the file libcasm_mapping-2.0a1-cp39-cp39-macosx_10_15_x86_64.whl.
File metadata
- Download URL: libcasm_mapping-2.0a1-cp39-cp39-macosx_10_15_x86_64.whl
- Upload date:
- Size: 606.1 kB
- Tags: CPython 3.9, macOS 10.15+ x86-64
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | e9bbc7e8e79873e74f3ddd1e38fb66300a6ec5f1a73fc7b0f4bbe827c9cd12a3 |
|
| MD5 | 783618b5cf72b12387dc224e5fb6d9e2 |
|
| BLAKE2b-256 | 63ddb5729486f2c669156992af249d45f80cf2727a99c3d2b379ab0a7d03bf8e |
