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Sven Michael Pohl
teqp_fork_old
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0467dd4ff60a401c7a40af7c46b3d6f4b115b840
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2CenterLJF
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Created with Raphaël 2.2.0
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REArrayd to EArrayd
Some bugs for mixtures in SAFT-VR-Mie
Add some docs
Add special SAFT-VR-Mie methods
Clean up the types of methods for getting d
Check another way to init the model
Another forced eval
Force the eval for the alphar_mono variable
Force an eval in quad function
Make sure the C++ interface is working
Update tests for SAFT-VR-Mie
SAFT-VR-Mie seems to be working
Some weird problem with quadrature related to types
Merge branch 'master' into SAFTVRMie
Cleanup to docs
Put test in the right folder
Clean up the models in README
Move finite_derivs into the math folder
Implemented SAFT-VR-Mie for mixtures
typo in thol LJ parameters (#36)
Add missing derivatives to header
Add up to third derivatives of residual Helmholtz energy
Refactor the solve_pure_critical for mixtures to use optional
Add missing optional
Bump the version
Try to fix the returned types
Merge branch 'LJChain'
Add notebook showing how to do things with the polar contributions
Show how to load PC-SAFT with make_model
Another taking of ownership
Add fields to Python interface
Make contributions own their memory
Fix checking
Add polar to JSON
Refactored the chain EOS to include polar contributions
Refactoring the normal PCSAFT contribution into its own class
Add the LJChain model from Johnson
Fix my double-check of conversion function
Add the quadrupolar model plus the hard chain
quadrupolar contributions from Gross and Vrabec
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