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Project description

ase_extension

Extension to ASE(atomistic simulation environment)

Features

ase_extension.constraints.LogFermiWallPotential: Constrain atoms in sphere with logfermi potential

Installation

With pypi

pip install ase_extension

From source

Install maturin first, and do:

pip install git+https://github.com/mjhong0708/ase_extension

User guide

See wiki.

Project details

Release history Release notifications | RSS feed

0.3.0

Apr 1, 2023

0.2.0

Mar 31, 2023

0.1.1

Mar 29, 2023

This version

0.1.0

Mar 28, 2023

Download files

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Source Distribution

ase_extension-0.1.0.tar.gz (8.8 kB view hashes)

Uploaded Mar 28, 2023 Source

Built Distributions

ase_extension-0.1.0-pp39-pypy39_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 PyPy manylinux: glibc 2.17+ x86-64

ase_extension-0.1.0-pp39-pypy39_pp73-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 PyPy manylinux: glibc 2.5+ i686

ase_extension-0.1.0-pp38-pypy38_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 PyPy manylinux: glibc 2.17+ x86-64

ase_extension-0.1.0-pp38-pypy38_pp73-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 PyPy manylinux: glibc 2.5+ i686

ase_extension-0.1.0-pp37-pypy37_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 PyPy manylinux: glibc 2.17+ x86-64

ase_extension-0.1.0-pp37-pypy37_pp73-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 PyPy manylinux: glibc 2.5+ i686

ase_extension-0.1.0-cp311-none-win_amd64.whl (153.8 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.11 Windows x86-64

ase_extension-0.1.0-cp311-none-win32.whl (146.1 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.11 Windows x86

ase_extension-0.1.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.11 manylinux: glibc 2.17+ x86-64

ase_extension-0.1.0-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.11 manylinux: glibc 2.5+ i686

ase_extension-0.1.0-cp311-cp311-macosx_11_0_arm64.whl (269.0 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.11 macOS 11.0+ ARM64

ase_extension-0.1.0-cp311-cp311-macosx_10_7_x86_64.whl (284.9 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.11 macOS 10.7+ x86-64

ase_extension-0.1.0-cp310-none-win_amd64.whl (153.8 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.10 Windows x86-64

ase_extension-0.1.0-cp310-none-win32.whl (146.1 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.10 Windows x86

ase_extension-0.1.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.10 manylinux: glibc 2.17+ x86-64

ase_extension-0.1.0-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.10 manylinux: glibc 2.5+ i686

ase_extension-0.1.0-cp310-cp310-macosx_11_0_arm64.whl (269.0 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.10 macOS 11.0+ ARM64

ase_extension-0.1.0-cp310-cp310-macosx_10_7_x86_64.whl (284.9 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.10 macOS 10.7+ x86-64

ase_extension-0.1.0-cp39-none-win_amd64.whl (154.0 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.9 Windows x86-64

ase_extension-0.1.0-cp39-none-win32.whl (146.3 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.9 Windows x86

ase_extension-0.1.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.9 manylinux: glibc 2.17+ x86-64

ase_extension-0.1.0-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.9 manylinux: glibc 2.5+ i686

ase_extension-0.1.0-cp38-none-win_amd64.whl (153.8 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.8 Windows x86-64

ase_extension-0.1.0-cp38-none-win32.whl (145.9 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.8 Windows x86

ase_extension-0.1.0-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.8 manylinux: glibc 2.17+ x86-64

ase_extension-0.1.0-cp38-cp38-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.8 manylinux: glibc 2.5+ i686

ase_extension-0.1.0-cp37-none-win_amd64.whl (153.7 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.7 Windows x86-64

ase_extension-0.1.0-cp37-none-win32.whl (145.9 kB view hashes)

Uploaded Mar 28, 2023 CPython 3.7 Windows x86

ase_extension-0.1.0-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.7m manylinux: glibc 2.17+ x86-64

ase_extension-0.1.0-cp37-cp37m-manylinux_2_5_i686.manylinux1_i686.whl (1.1 MB view hashes)

Uploaded Mar 28, 2023 CPython 3.7m manylinux: glibc 2.5+ i686

Hashes for ase_extension-0.1.0.tar.gz

Hashes for ase_extension-0.1.0.tar.gz
Algorithm	Hash digest
SHA256	`4c305ec4ac7b85f9789276a69ef53c4736ac06c7dd8c1b2845b5e63b6589b092`
MD5	`58fd1f4dff37b359b63fdd8bdfb1966c`
BLAKE2b-256	`01f8ab15e2a7db8b5c778cbf42cfe8d6baab38e1c3ffb4ef40146cd348c1630e`

Hashes for ase_extension-0.1.0-pp39-pypy39_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for ase_extension-0.1.0-pp39-pypy39_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`8abbef31acdc69ca45e8fb39032cee69021869492f636cb1c6629db02761f5ad`
MD5	`a0d52c08f363356e2a5045d310623452`
BLAKE2b-256	`e90c085be93ae35b3661087f8d61ceeb9ec40dfd730473bf9bc20c8d5db456e7`

Hashes for ase_extension-0.1.0-pp39-pypy39_pp73-manylinux_2_5_i686.manylinux1_i686.whl

Hashes for ase_extension-0.1.0-pp39-pypy39_pp73-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm	Hash digest
SHA256	`6f653925bf501ba9b11d4fb3a856a1d98572eb9e2b5ae029c633aeff9972ca7e`
MD5	`25a76d9c63e796bdc51736308650abdc`
BLAKE2b-256	`790ac7d7065dd44fd602c980fd309e3e0f766288d7024e67e9ff0b9bdddc0469`

Hashes for ase_extension-0.1.0-pp38-pypy38_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for ase_extension-0.1.0-pp38-pypy38_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`fdb7f824b8c3a2be4fe4e4ae5ed10f3adac15c334b7a449c93695aaad9c5cd2c`
MD5	`94ef8300f409caf075bed120158ff958`
BLAKE2b-256	`e9d6418edf28ffd30b38937fd4db9145c23f5fe15a187f9197e82a372e07140f`

Hashes for ase_extension-0.1.0-pp38-pypy38_pp73-manylinux_2_5_i686.manylinux1_i686.whl

Hashes for ase_extension-0.1.0-pp38-pypy38_pp73-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm	Hash digest
SHA256	`5b087897ef9ecd048e2933ddd886f787971497fe27c8d36407b7d27720431d7e`
MD5	`71c914046293e8aebbc0d4fe458cf07e`
BLAKE2b-256	`f22454c10e7f9de1596a9480058d6cfca8c215eb4dba93137fef9bd617a32e8c`

Hashes for ase_extension-0.1.0-pp37-pypy37_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for ase_extension-0.1.0-pp37-pypy37_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`c74df051968ccf4a1b46d32e3392f2f2352ae7a957a4f37db7103a8a95e133d7`
MD5	`2c6294163b5c09a50fef5c1cdd82d657`
BLAKE2b-256	`a33db8ddbd87191276bf208235352d9730bb77a734bc2eda1683bd02803abc68`

Hashes for ase_extension-0.1.0-pp37-pypy37_pp73-manylinux_2_5_i686.manylinux1_i686.whl

Hashes for ase_extension-0.1.0-pp37-pypy37_pp73-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm	Hash digest
SHA256	`1cdaa90b13588c0d5516d10e7b3e793b6f153298b6c92daa72d498c4e4bee745`
MD5	`353b12dc92849ff1c2f353c0c3a69b00`
BLAKE2b-256	`71fdc2a3a2251c636e49da6698208ec18e919c117f4b82d8844033a9d42c0519`

Hashes for ase_extension-0.1.0-cp311-none-win_amd64.whl

Hashes for ase_extension-0.1.0-cp311-none-win_amd64.whl
Algorithm	Hash digest
SHA256	`986bd728d55415ec322d755816c4a22426014488a97bf60445274ccff8956256`
MD5	`3642af4f40941beecd16264b70ed8619`
BLAKE2b-256	`a4f0bd8fb5bc1359a699a9bae53380a1a5bd8e19666341a4f3f4cf562cea8769`

Hashes for ase_extension-0.1.0-cp311-none-win32.whl

Hashes for ase_extension-0.1.0-cp311-none-win32.whl
Algorithm	Hash digest
SHA256	`02d7c7c8bc7852f4e17c6f9430ab89389fb71725c1f1bb1c0814d4a586243cea`
MD5	`87f99054e5aac4a41c7b40d7ba1ed9e1`
BLAKE2b-256	`758de78d0b5aa2dcc831e4c92760a89c2cc0e6b9c95c295e6146c4cc05df74d9`

Hashes for ase_extension-0.1.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for ase_extension-0.1.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`388c376e9b24b9495716c24e430905842c9a19d14a5d959106a6237e6cf702ab`
MD5	`b0e17b4526a9ffab7ac3098c46af8b35`
BLAKE2b-256	`b6b3eb1ad271abc61cff1b7d928202491a56b96aeb4b384236d22d72a718cddf`

Hashes for ase_extension-0.1.0-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.whl

Hashes for ase_extension-0.1.0-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm	Hash digest
SHA256	`66bb1722bb011e39cef5eeedb10c103aeeb318b02a3820556c6f644b8db36f92`
MD5	`f8de3fa4d2440f86ab081563d66c55bf`
BLAKE2b-256	`bc2f7469fd363bfa8d7c86dd25d645a963d4a39556671f219e9c7ffa74e44f62`

Hashes for ase_extension-0.1.0-cp311-cp311-macosx_11_0_arm64.whl

Hashes for ase_extension-0.1.0-cp311-cp311-macosx_11_0_arm64.whl
Algorithm	Hash digest
SHA256	`99311cf0dffe68a7c892555a029694c8438428ad8fb5885b208d2522b01f32b8`
MD5	`94e2cf60f686d8a026349ce1d9b278dd`
BLAKE2b-256	`83c31d693849d9d455e298b7e354cd57ef4dede0da00eb9b39f43df2f013ad64`

Hashes for ase_extension-0.1.0-cp311-cp311-macosx_10_7_x86_64.whl

Hashes for ase_extension-0.1.0-cp311-cp311-macosx_10_7_x86_64.whl
Algorithm	Hash digest
SHA256	`ccb8708a9217e6410b4b4a4ce13e5787b6f8ae0fd5f1fd0b99c6130ccc4e87a1`
MD5	`dd9b454a1050c091c5d29af3ea22afc7`
BLAKE2b-256	`59d6951c44fb55b22523630a25aeedd1b239614efb28cd8920f151bb6810a06e`

Hashes for ase_extension-0.1.0-cp310-none-win_amd64.whl

Hashes for ase_extension-0.1.0-cp310-none-win_amd64.whl
Algorithm	Hash digest
SHA256	`a29e9dee142802149aec5ff1b1d25f830c5e3d42406137d6f00c4ea1926ad15a`
MD5	`80bb2aa9c4ab90ff22eaa03e60182500`
BLAKE2b-256	`36a6f5028552a398e6053c79ec0ae19ef4b6a7fbd4ee81d81fe373a1518aac63`

Hashes for ase_extension-0.1.0-cp310-none-win32.whl

Hashes for ase_extension-0.1.0-cp310-none-win32.whl
Algorithm	Hash digest
SHA256	`d1c2c5c8747c07956d487362a6d09b9f0fdb22c3e22793ca1001fb44b07f09f6`
MD5	`4e409a32d7768b6ba636905b877d1fc6`
BLAKE2b-256	`cc9d3309118f7dfa9a0daf669b2f73a323da562197126d77a664b75671103c2f`

Hashes for ase_extension-0.1.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for ase_extension-0.1.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`673348e9c999e60b64425c890cc2e92f55c999c2eae352aaf17b0f0af79a6eeb`
MD5	`08a7c44ff122ee8a41b18de83c026aa4`
BLAKE2b-256	`3aae58b131c12bfef44f129ba723607856da6027831a5a541f81ac6acd96595c`

Hashes for ase_extension-0.1.0-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.whl

Hashes for ase_extension-0.1.0-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm	Hash digest
SHA256	`be448ce1fc17fa2d906c29a5098bcca27ea00e65d65bb91d3caa8afac5bca7eb`
MD5	`bcca4a10c5384a72915b837838800abd`
BLAKE2b-256	`6a740683def961be9556ee3d16e2902b6cf98c416256757bda50e58ea231ade7`

Hashes for ase_extension-0.1.0-cp310-cp310-macosx_11_0_arm64.whl

Hashes for ase_extension-0.1.0-cp310-cp310-macosx_11_0_arm64.whl
Algorithm	Hash digest
SHA256	`ec3af450430cf3bbc2af0016c7b9817f210ca9487321e3ef34b2dd3e62197d28`
MD5	`b70c97865c1826d707e51199f0e15ca3`
BLAKE2b-256	`d18c7734c4cd1f4b972389dbc0d86aee0a5b277539312aa13e731774c5a522e6`

Hashes for ase_extension-0.1.0-cp310-cp310-macosx_10_7_x86_64.whl

Hashes for ase_extension-0.1.0-cp310-cp310-macosx_10_7_x86_64.whl
Algorithm	Hash digest
SHA256	`bbd8029a02d543536947642e82ebbf97a06d05127f73c5ecf61c6274a7303d71`
MD5	`4ef3954973ff10bbfc31492c771113b9`
BLAKE2b-256	`d75b1eb197d3ce47ba290e16d7e29a62e571bb37e34c013923b3741bf91d8396`

Hashes for ase_extension-0.1.0-cp39-none-win_amd64.whl

Hashes for ase_extension-0.1.0-cp39-none-win_amd64.whl
Algorithm	Hash digest
SHA256	`97d39e5beb2d978d59a875a3ccf62162306d36923c4f221dc4a71e705f2324bb`
MD5	`ded63c6a6f5043c8d24868eb54c63e3a`
BLAKE2b-256	`990ba16e2b0380378fa48c33da2237bad76704b4341731d3340713e802980c2e`

Hashes for ase_extension-0.1.0-cp39-none-win32.whl

Hashes for ase_extension-0.1.0-cp39-none-win32.whl
Algorithm	Hash digest
SHA256	`3e1d8256096e51e426d6aaa7af576f83e2ace38d561074aaff70be0be3c52e22`
MD5	`8106f1aad15d15e6fea14b33b6a1b158`
BLAKE2b-256	`6e4cd06bc14a4f0bdd691d2d045f96bceab2a215d414e515306407ea40edd38c`

Hashes for ase_extension-0.1.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for ase_extension-0.1.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`cd2f34d08cffe637b409df76f92b32c33bcd28bc7991256659674b4a01ce30a6`
MD5	`cd786c3f51dff7c5cbabd6ad46ac98d7`
BLAKE2b-256	`244e7e16222d6e9ccb7e85a357ab8876b2a6ed58ebd75672af96fdd392425352`

Hashes for ase_extension-0.1.0-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.whl

Hashes for ase_extension-0.1.0-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm	Hash digest
SHA256	`c8d1e7c11f827e1763c27d5c890776b399e28f4c1f1b6a5e16e480d9e82f8e5f`
MD5	`6211462a3163c827af07bb434ccc74a7`
BLAKE2b-256	`361b79e6623b36306777416f8273429b83d34936e01bfb8bd6bed8934e3c9e37`

Hashes for ase_extension-0.1.0-cp38-none-win_amd64.whl

Hashes for ase_extension-0.1.0-cp38-none-win_amd64.whl
Algorithm	Hash digest
SHA256	`46b6ff10d3f688dfaf9eb3566deb24db6b1e466dc52c6721ed99f2a1bf1696f2`
MD5	`3b7f2c73a1b9e68aa5ccc182f2831f86`
BLAKE2b-256	`a9bafe6799f634410148c4a503691607a412d279f7ad5595e41b82d865d5505b`

Hashes for ase_extension-0.1.0-cp38-none-win32.whl

Hashes for ase_extension-0.1.0-cp38-none-win32.whl
Algorithm	Hash digest
SHA256	`dd81fd7e5092f576927ccb4b17a4015ba31c0c15bdfe2cc9730ccb0c8da4ad82`
MD5	`6d89285bd220691750f2979780374009`
BLAKE2b-256	`6546633c61ae567ff56c257d96e090698e3d0e931818fec6c3180df05dabd693`

Hashes for ase_extension-0.1.0-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for ase_extension-0.1.0-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`e593b984bd7ada05a035d1c953e914877ea150714257a2b6469612ef94ab3192`
MD5	`d32e1bb1605e8f308a7fd5795b612cff`
BLAKE2b-256	`e70c52c77db3bc8c299986e331a12d2d47aa86e3aa016c71e805da406a2b8fd2`

Hashes for ase_extension-0.1.0-cp38-cp38-manylinux_2_5_i686.manylinux1_i686.whl

Hashes for ase_extension-0.1.0-cp38-cp38-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm	Hash digest
SHA256	`e7bb6339decd5fc98c3e08a1ddc3a32c63e05ec546adb4ed4813aae627aaa91e`
MD5	`def679f2592d76c43abb983d5750abb2`
BLAKE2b-256	`a443d7d197badc2c7258932bb7da41295ea082f2809d7ae3104cfe0f7717e210`

Hashes for ase_extension-0.1.0-cp37-none-win_amd64.whl

Hashes for ase_extension-0.1.0-cp37-none-win_amd64.whl
Algorithm	Hash digest
SHA256	`50925125611eebffb270534695219eec9ff1526f975ea9354bcfb9c1ecbd9a37`
MD5	`019a2d94eee3c70d3939598e9b30955a`
BLAKE2b-256	`f97685622f4358116592cd5d8d0ece4c33195068489bb66975d02d344639fce1`

Hashes for ase_extension-0.1.0-cp37-none-win32.whl

Hashes for ase_extension-0.1.0-cp37-none-win32.whl
Algorithm	Hash digest
SHA256	`22476a72ccfff5431bc6b3b790382f2b16f6ed8d16b51e21be33d4fe285f080c`
MD5	`c790a67e95201f663fc9b1cc586f9d31`
BLAKE2b-256	`2080ff9a65be147b1503af8b164042e220c6bbb6c7312e4f97be032b80181d0b`

Hashes for ase_extension-0.1.0-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for ase_extension-0.1.0-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`902bdb178d24e20239344cd6b963ede49995b487b636910ab6aad9cbccddf269`
MD5	`112fd249d33b12bf67fbf1f31c480879`
BLAKE2b-256	`9fdafb7935993e6e418b3a10ce72396d4f3c2ac1763a297221524978dbb58712`

Hashes for ase_extension-0.1.0-cp37-cp37m-manylinux_2_5_i686.manylinux1_i686.whl

Hashes for ase_extension-0.1.0-cp37-cp37m-manylinux_2_5_i686.manylinux1_i686.whl
Algorithm	Hash digest
SHA256	`70fc777f2879b54587071400a48e472a5bd8b1acdc7345813141c1d43c71a0dc`
MD5	`6f3be1d7aa2a9484e3256b6deac39b30`
BLAKE2b-256	`bdfd686bbb6b5ec026fea62072c291197d8d79ada61e2a2450a2d09634177d94`