yaeos 3.1.0__cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.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.
- yaeos/__init__.py +54 -0
- yaeos/constants.py +4 -0
- yaeos/core.py +2473 -0
- yaeos/envelopes.py +407 -0
- yaeos/fitting/__init__.py +12 -0
- yaeos/fitting/core.py +193 -0
- yaeos/fitting/model_setters.py +76 -0
- yaeos/fitting/solvers.py +87 -0
- yaeos/gpec.py +104 -0
- yaeos/lib/__init__.py +9 -0
- yaeos/lib/yaeos_python.cpython-313-x86_64-linux-gnu.so +0 -0
- yaeos/models/__init__.py +24 -0
- yaeos/models/excess_gibbs/__init__.py +20 -0
- yaeos/models/excess_gibbs/dortmund.py +45 -0
- yaeos/models/excess_gibbs/nrtl.py +49 -0
- yaeos/models/excess_gibbs/psrk_unifac.py +45 -0
- yaeos/models/excess_gibbs/unifac.py +45 -0
- yaeos/models/excess_gibbs/uniquac.py +117 -0
- yaeos/models/groups.py +49 -0
- yaeos/models/residual_helmholtz/__init__.py +21 -0
- yaeos/models/residual_helmholtz/cubic_eos/__init__.py +38 -0
- yaeos/models/residual_helmholtz/cubic_eos/cubic_eos.py +449 -0
- yaeos/models/residual_helmholtz/cubic_eos/mixing_rules.py +253 -0
- yaeos-3.1.0.dist-info/METADATA +87 -0
- yaeos-3.1.0.dist-info/RECORD +32 -0
- yaeos-3.1.0.dist-info/WHEEL +6 -0
- yaeos.libs/libblas-357956a1.so.3.4.2 +0 -0
- yaeos.libs/libgfortran-040039e1.so.5.0.0 +0 -0
- yaeos.libs/libgfortran-91cc3cb1.so.3.0.0 +0 -0
- yaeos.libs/libgomp-a34b3233.so.1.0.0 +0 -0
- yaeos.libs/liblapack-1ad85175.so.3.4.2 +0 -0
- yaeos.libs/libquadmath-96973f99.so.0.0.0 +0 -0
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Metadata-Version: 2.1
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Name: yaeos
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Version: 3.1.0
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Summary: Thermodynamic modelling with Equation of State
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Requires-Python: >=3.10
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Requires-Dist: IPython
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Requires-Dist: numpy
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Requires-Dist: scipy
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Requires-Dist: pandas
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Requires-Dist: intersect
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Requires-Dist: matplotlib
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Description-Content-Type: text/markdown
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# yaeos Python bindings
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The `yaeos` Python API is on and early stage of development. So the API will
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change with time.
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## Supported operative systems
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- Linux
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## Supported Python versions
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- Python >= 3.10, < 3.13
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## Installation
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To install the last version of `yaeos` Python API, you can use `pip`:
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```
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pip install yaeos
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```
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### For developers, the editable installation is done by
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```
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cd python
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pip install -r requirements-build.txt
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pip install -e . --no-build-isolation
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```
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### Building from source
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To build `yaeos` from source you can clone the repository and install it with
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pip. The system dependencies are:
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- LAPACK
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- Fortran compiler
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To build and install do:
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```shell
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git clone https://github.com/ipqa-research/yaeos.git
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cd yaeos/python
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pip install .
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```
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### Setting a Google Colab to use yaeos
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To install `yaeos` on Google Colab you can do the following command to install
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the last version uploaded to PyPI:
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```shell
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%pip install yaeos
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```
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To check if the installation worked correctly:
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```python
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from yaeos import PengRobinson76
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import numpy as np
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model = PengRobinson76(
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np.array([320, 375]),
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np.array([30, 45]),
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np.array([0.0123, 0.045])
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)
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model.lnphi_vt(np.array([5.0, 4.0]), 2.0, 303.15)
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```
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You will get:
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```
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array([0.47647471, 0.35338115])
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```
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yaeos/__init__.py,sha256=A0RqZ02a5lflXVw679h36RZPW11ybdskPHoijYMDJg8,997
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yaeos/constants.py,sha256=asJacgjCrJuIlf_qWVuyBzE16AYJqVNi9O0Z_Ja4OFc,81
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yaeos/core.py,sha256=_170Lb9o6xXHpiM8CjO81DcUgR-GFT4NEk9hsEYSKVA,71997
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yaeos/envelopes.py,sha256=VJqw2STQap2xRFSuAZLeP66CaJZL4SeTWblFrkQUjl4,13739
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yaeos/gpec.py,sha256=HDMB7hc4b2PBuJBUrzcLC_0aASQPn2cRseetznkfr64,2731
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yaeos/fitting/__init__.py,sha256=ljdv9e1bTMFPN_l0kEOVGU8GKLIMD2oqKFoezoTelOg,333
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yaeos/fitting/core.py,sha256=pZJ53BnuYkMbFnYtJ-BgznXSRPv4hrWNAGw4CS9SlIU,6801
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yaeos/fitting/model_setters.py,sha256=uJLfHeOiAxVMscs9qz0vJHR5tBQ2buPXhUcI1CTJSO4,1558
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yaeos/fitting/solvers.py,sha256=KoL5JYm4eQP5wAAVCcPimeHvEBYSdjngwfnwUAUhSTY,1980
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yaeos/lib/__init__.py,sha256=JoG2sgKPrqe_TbvRI9bYXU0U_SF-GplchencGp9nNT0,199
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yaeos/lib/yaeos_python.cpython-313-x86_64-linux-gnu.so,sha256=1MwM5i5fofI3l-NuIADNV0tMrLXIi9OLDeOQ7qvhd6Q,13160153
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yaeos/models/__init__.py,sha256=3CiEMZfuq5fuUPmyvLYVBXraStci-Y3CacoOHaCj2sk,780
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yaeos/models/groups.py,sha256=C9Yl-gVujsvz6_ZTKWdSRYT5EX5gNTrLsHpbLjHa9Ig,1573
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yaeos/models/excess_gibbs/__init__.py,sha256=IH3T-uThHJarRVB97eiAeYWVG8dWrkJF5f8AhYDyfqU,653
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yaeos/models/excess_gibbs/dortmund.py,sha256=Z-8P2vHijRTYSuXyjnvBWrxjceDe5rQEA_-uNCbjKLk,1138
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yaeos/models/excess_gibbs/nrtl.py,sha256=U7uLp-SLdjO-By3FSiljO5apyk4AAhbbWKK7a0kKuLg,1023
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yaeos/models/excess_gibbs/psrk_unifac.py,sha256=M_cMma8Af7-GGEyAmy97bn4qOZLWVbWRY7vP1B0FqSM,1114
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yaeos/models/excess_gibbs/unifac.py,sha256=KV0S6SNP6ydD6SVhJlraMpXM4d7PRBmEUVzjZd8_ASA,1103
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yaeos/models/excess_gibbs/uniquac.py,sha256=0ZU58HIqCmHjQnnhThwcj4g0tc5_8tJobUiMvcvW8XQ,3309
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yaeos/models/residual_helmholtz/__init__.py,sha256=c0D-LhZvyQDppy9Lh-ODkgBq6SFd07j-3Z3IJg2_4kw,676
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yaeos/models/residual_helmholtz/cubic_eos/__init__.py,sha256=4Jvnh9bAdwDjGFty4vcUH5BkYBQdoGQX3WHOgTR9ln4,727
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yaeos/models/residual_helmholtz/cubic_eos/cubic_eos.py,sha256=yOEFydXApIHbO7CPK0oiRzO7mz4qs-cHRznmP6XzG9Q,12172
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yaeos/models/residual_helmholtz/cubic_eos/mixing_rules.py,sha256=hMcBsNerBwEmtwJLrZdnh18THT7SHlVKPd4PZa6i7h0,6801
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yaeos.libs/libblas-357956a1.so.3.4.2,sha256=eLqolYX0nkk2PP64pkqa0Nif8hllaovrJMGbx8jU5W0,374265
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yaeos.libs/libgfortran-040039e1.so.5.0.0,sha256=FK-zEpsai1C8QKOwggx_EVLqm8EBIaqxUpQ_cFdHKIY,2686065
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yaeos.libs/libgfortran-91cc3cb1.so.3.0.0,sha256=VePrZzBsL_F-b4oIEOqg3LJulM2DkkxQZdUEDoeBRgg,1259665
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yaeos.libs/libgomp-a34b3233.so.1.0.0,sha256=On6uznIxkRvi-7Gz58tMtcLg-E4MK7c3OUcrWh_uyME,168193
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yaeos.libs/liblapack-1ad85175.so.3.4.2,sha256=wrfEW65bG_XaXB2gB_JZR24uf8UxvWTrvVe6nIqfwu4,5682809
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yaeos.libs/libquadmath-96973f99.so.0.0.0,sha256=k0wi3tDn0WnE1GeIdslgUa3z2UVF2pYvYLQWWbB12js,247609
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yaeos-3.1.0.dist-info/METADATA,sha256=fijBPBuGs120efkgrbmJErSgMvPIcgmOSgHLV75JCOM,1604
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yaeos-3.1.0.dist-info/WHEEL,sha256=4jJSdxi7uwJPD8E2v8tAIkL60vcN6YnLac60EMTeO-4,137
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yaeos-3.1.0.dist-info/RECORD,,
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