calphy 1.4.6__py3-none-any.whl → 1.4.12__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (17) hide show
  1. calphy/__init__.py +1 -1
  2. calphy/alchemy.py +278 -158
  3. calphy/composition_transformation.py +148 -54
  4. calphy/helpers.py +3 -1
  5. calphy/input.py +1 -2
  6. calphy/liquid.py +13 -0
  7. calphy/phase.py +55 -4
  8. calphy/phase_diagram.py +2 -1
  9. calphy/routines.py +6 -0
  10. calphy/solid.py +243 -186
  11. {calphy-1.4.6.dist-info → calphy-1.4.12.dist-info}/METADATA +1 -1
  12. calphy-1.4.12.dist-info/RECORD +25 -0
  13. {calphy-1.4.6.dist-info → calphy-1.4.12.dist-info}/WHEEL +1 -1
  14. calphy-1.4.6.dist-info/RECORD +0 -25
  15. {calphy-1.4.6.dist-info → calphy-1.4.12.dist-info}/entry_points.txt +0 -0
  16. {calphy-1.4.6.dist-info → calphy-1.4.12.dist-info}/licenses/LICENSE +0 -0
  17. {calphy-1.4.6.dist-info → calphy-1.4.12.dist-info}/top_level.txt +0 -0
{calphy-1.4.6.dist-info → calphy-1.4.12.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: calphy
3
- Version: 1.4.6
3
+ Version: 1.4.12
4
4
  Summary: free energy calculation for python
5
5
  Home-page: https://github.com/ICAMS/calphy
6
6
  Author: Sarath Menon, Yury Lysogorskiy, Ralf Drautz
calphy-1.4.12.dist-info/RECORD ADDED
@@ -0,0 +1,25 @@
1
+ calphy/__init__.py,sha256=Iu7qfGvlk8ZpQjT775AHfcaeH9pKVGkm-4-kJnRD8_E,234
2
+ calphy/alchemy.py,sha256=05XRvyWBEYmGU95kC3z6-AiygWFdmCwV4ADaZ9I23l0,18942
3
+ calphy/clitools.py,sha256=ZUr6ZfdopFxWMbrzNT_TQaUA16iPmZ3144oPcwcDazY,4433
4
+ calphy/composition_transformation.py,sha256=PxaLCWE7vE_nHMmcMvfKkJkjVmZVXjb2KhQop4jzjSY,24044
5
+ calphy/errors.py,sha256=KN47RWTLbg1H_NZMrhCiJCbqjqJScJ1pgQAuzj1-l84,1268
6
+ calphy/helpers.py,sha256=T7FPhP2T0ne9JD3i_CKnqkmihALohdFY6ODf1bfKGl8,8689
7
+ calphy/input.py,sha256=txu-cHPkYdTl5WdQ6EPz7SAkjqxXd9-cUj30Zn5CMN0,39578
8
+ calphy/integrators.py,sha256=q5sIJX3nh4c9kmDQJ4Pqhvm38tRWKELoJwm5gW0lqws,21858
9
+ calphy/kernel.py,sha256=wjSpQ59PN-aqHQ1kvOxTYnP2d3wE1Zx4A9ZhqQFqGlI,6311
10
+ calphy/liquid.py,sha256=AnvxuQDdjBaZALg5tTcZq9IVrwk0W3Hds4wJeD9LgWs,15681
11
+ calphy/phase.py,sha256=hIz3NxU9q6uuv1-DD5tyQBxhoa28GfK7Uabo66_4Fyk,55607
12
+ calphy/phase_diagram.py,sha256=ZzLLwQ7Mg15KO1y5FEjcXXPqYPOtN6mtEaO_v3Owt9Y,32535
13
+ calphy/postprocessing.py,sha256=XxpFGbR8dUoKhGb7GCPEWPA4CWl7ZftuM1cN4tz7-fQ,15164
14
+ calphy/queuekernel.py,sha256=4GMIYnjMiAPipoLNKP5noYcfeEOI_vCqm84zgokk7Xw,5321
15
+ calphy/routines.py,sha256=-iq8QbEzXwyPUuqGtH4TiYON6jYQzq7TWJskaAolWlQ,18360
16
+ calphy/scheduler.py,sha256=U-FQttOHOUiL-qR9gepvdGn1fxbfhZhHezuWdO3Fgyk,7575
17
+ calphy/solid.py,sha256=g-q18JJ5wmqa4XNWq-7nu35rgbLQJc_Gk5tNjfRttJY,23199
18
+ calphy/splines.py,sha256=BGwUVz_qXQxUzpUCuZo6CsELcd5JVNWzI-Ttcz22G_E,61627
19
+ calphy/utils.py,sha256=0UpsYoxjS5N-iGs-cdm0YDMkLF8IHvKO3smXDHrj3eg,3818
20
+ calphy-1.4.12.dist-info/licenses/LICENSE,sha256=XIHGB5RZLIhOjjoO1bPf0II-qDbjhP5Cv5HJMRE9v1g,16651
21
+ calphy-1.4.12.dist-info/METADATA,sha256=nT29uWdJaKE3hq6InvxA_bR8Q-0frT03s1BqTglAO_E,4470
22
+ calphy-1.4.12.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
23
+ calphy-1.4.12.dist-info/entry_points.txt,sha256=KX5dP2iYy9GB4Mo0lbCPAz6jo-8b1Gt9GDmsDFzt9pQ,439
24
+ calphy-1.4.12.dist-info/top_level.txt,sha256=w871dhMqPwgjjbifBWdkT9_aOnK1ek4Odrh8UnSG3PE,7
25
+ calphy-1.4.12.dist-info/RECORD,,
{calphy-1.4.6.dist-info → calphy-1.4.12.dist-info}/WHEEL RENAMED
@@ -1,5 +1,5 @@
1
1
  Wheel-Version: 1.0
2
- Generator: setuptools (80.9.0)
2
+ Generator: setuptools (80.10.2)
3
3
  Root-Is-Purelib: true
4
4
  Tag: py3-none-any
5
5
 
calphy-1.4.6.dist-info/RECORD DELETED
@@ -1,25 +0,0 @@
1
- calphy/__init__.py,sha256=K3G6Hr3pdNGqjHH0ZvD0OGh4ukLTKdlkcm_JLSyCKw8,233
2
- calphy/alchemy.py,sha256=IEYLfsJRsjfB0zFfApmxGbYXif7IE6mUY_vjTZoXdII,17236
3
- calphy/clitools.py,sha256=ZUr6ZfdopFxWMbrzNT_TQaUA16iPmZ3144oPcwcDazY,4433
4
- calphy/composition_transformation.py,sha256=S-4H4UDjy_1Ucn6qgAoMaCsDRfNc8zJ5DH4_BqOGAT4,19336
5
- calphy/errors.py,sha256=KN47RWTLbg1H_NZMrhCiJCbqjqJScJ1pgQAuzj1-l84,1268
6
- calphy/helpers.py,sha256=oPDlnXKoOLP1uwnilDgorKs_FlvunN1-bwChEwDslDE,8608
7
- calphy/input.py,sha256=gITbf-X-pdPm7pAd8CMOFV6rd4MaiNJFKLOqfG0TfWA,39578
8
- calphy/integrators.py,sha256=q5sIJX3nh4c9kmDQJ4Pqhvm38tRWKELoJwm5gW0lqws,21858
9
- calphy/kernel.py,sha256=wjSpQ59PN-aqHQ1kvOxTYnP2d3wE1Zx4A9ZhqQFqGlI,6311
10
- calphy/liquid.py,sha256=ECF3DxPZv7XHnmQzk_yz1fol-Vsd98lRojTMAR1YS3M,15025
11
- calphy/phase.py,sha256=F4GRrEG0IDR6f0rFabQYP7aYBzpKAyxPvol-n7vAj08,53540
12
- calphy/phase_diagram.py,sha256=85ZTzyQX_a902wqRJ49MQsQEHZiZAwfHOaruskVhlD4,32417
13
- calphy/postprocessing.py,sha256=XxpFGbR8dUoKhGb7GCPEWPA4CWl7ZftuM1cN4tz7-fQ,15164
14
- calphy/queuekernel.py,sha256=4GMIYnjMiAPipoLNKP5noYcfeEOI_vCqm84zgokk7Xw,5321
15
- calphy/routines.py,sha256=YaVoAbeAbZ3ytAP_A0o5ngkpPiXpc_lk2I0bN3nqhPs,17858
16
- calphy/scheduler.py,sha256=U-FQttOHOUiL-qR9gepvdGn1fxbfhZhHezuWdO3Fgyk,7575
17
- calphy/solid.py,sha256=zHSqri8roW23hIQ21huxHHJqq3P5EklSj6Z0z9ywfbc,21911
18
- calphy/splines.py,sha256=BGwUVz_qXQxUzpUCuZo6CsELcd5JVNWzI-Ttcz22G_E,61627
19
- calphy/utils.py,sha256=0UpsYoxjS5N-iGs-cdm0YDMkLF8IHvKO3smXDHrj3eg,3818
20
- calphy-1.4.6.dist-info/licenses/LICENSE,sha256=XIHGB5RZLIhOjjoO1bPf0II-qDbjhP5Cv5HJMRE9v1g,16651
21
- calphy-1.4.6.dist-info/METADATA,sha256=4gAFxTRF2NTh1I_3Z5zYnotK_Fvdc9PaWPWp2_qotHY,4469
22
- calphy-1.4.6.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
23
- calphy-1.4.6.dist-info/entry_points.txt,sha256=KX5dP2iYy9GB4Mo0lbCPAz6jo-8b1Gt9GDmsDFzt9pQ,439
24
- calphy-1.4.6.dist-info/top_level.txt,sha256=w871dhMqPwgjjbifBWdkT9_aOnK1ek4Odrh8UnSG3PE,7
25
- calphy-1.4.6.dist-info/RECORD,,