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PCPSAFT updates #264

Merged
merged 74 commits into from
Mar 25, 2024
Merged

PCPSAFT updates #264

merged 74 commits into from
Mar 25, 2024

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longemen3000
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  • updates gcPC(P)SAFT databases to include kij by rehner (2023)
  • updates PCPSAFT databases to include induced association and kij by rehner (2023)
  • adds new group synonyms to joback, so the same group input can be used for gcPCSAFT and Joback
  • adds the polar term to hetero-gc-PCPSAFT
  • both gcPCSAFT and gcPPSAFT redirect to gcPCPSAFT(;mixing = :hetero). you can get homo-gc-PCPSAFT by passing mixing = :homo
  • updates Reid DB to use poling coefficients

@longemen3000
rename to PCPSAFT
7ca057f
@longemen3000
reorder (gc)PCPSAFT data and files
97f43e5
@longemen3000
reorganize gc-PCPSAFT structure
0b2e256
@longemen3000
update JobackIdeal to be compatible with gcPCSAFT groups
f10096c
@longemen3000
use poling coefficients for ReidIdeal
246cf25
@longemen3000
remove old reid file
102c11f
@longemen3000
add kij for PCPSAFT
dbe60e4
@longemen3000
more work, homo-gc-pcsaft almost done
259a9e8
@longemen3000
use sites in calculation of combining rules
55bd60c
@longemen3000
add new parameters for hetero-gc-PCPSAFT
ae7f86d
@longemen3000
typo in include
2fdf717
@longemen3000
always cancel intermediate builds
442d63d
@longemen3000
fix typos found in test
0f3881c
@longemen3000
add group data for gcPCSAFTs
8654a03
@longemen3000
fix typos found in test, use ReidIdeal (with poling coefs) instead of…
eb4a06b 
… shomate in ref state tests
@longemen3000
start support of heterogcPCPSAFT polar term
6717eab
@longemen3000
assoc_mix! : data already contains assoc_options
ae97d1d
@longemen3000
add mixing for component sigma,epsilon in heterogcPCPSAFT
305c98f
@longemen3000
add methylmine, ethylamine to gamma Mie groups
15129f9
@longemen3000
finish mixing for heterogcPCPSAFT
12b469f
@longemen3000
add assoc unlike data for PCPSAFT
bab9cf9
@longemen3000
Merge branch 'master' of https://github.com/ClapeyronThermo/Clapeyron.jl
9ddfe91 
 into PCPSAFT-updates
@longemen3000
add mea name in more places
6a5f605
@longemen3000
add news for 0.5.11
dfd4742
@longemen3000
typo in news.md
70a3acd
@longemen3000
fix error in test
a0f1d26
@longemen3000
fix kij_mix! when K is a matrix, fix set_k!/set_l! for PCSAFT
d7c14f0
@longemen3000
refactor some things about StructGroupParam
172e254
@longemen3000
more work on StructGroupParam
f28fd1b
@longemen3000
typo in export
0547567
@longemen3000
less haggling of T,V,z in test_models.jl
a6bc961
@longemen3000
missing begin
d00bafd
@longemen3000
typo in SuperAnc
edfb3a3
@longemen3000
change ci to ubuntu nightly
ede6178
@longemen3000
try to run test distributed among different machines
0f8840a
@longemen3000
typo
c6034e4
@longemen3000
move some tests around
0723310
@longemen3000
move test with PCSAFT161 from issues to misc/macros
5d249ae
@longemen3000
typo in name
1f38ce9
@longemen3000
run more tests on worker 1
b37a3a5
@longemen3000
fix SAFTVRSW.jl (#165)
1bb1c09
@longemen3000
speed up BACKSAFT
d3cac4a
@longemen3000
fix some distributed stuff
f78ae37
@longemen3000
optimize ogSAFT
9930623
@longemen3000
define ck_diameter
bca54f9
@longemen3000
minor fixes to ogSAFT
7eb0d6c
@longemen3000
speed up CKSAFT, sCKSAFT
00b317a
@longemen3000
little speed up for LJSAFT
39ff2fa
@longemen3000
use 1 definition of ζ0123
e6cb3df
@longemen3000
typo in ck_diameter
2e7dcd9
@longemen3000
typo in ogSAFT
af84963
@longemen3000
typo in CPPCSAFT
fb5796d
@longemen3000
fix gibbs-duhem error in SAFTVRSW
dabb88e
@longemen3000
move some code in runtests.jl
856a70b
@longemen3000
forgot to include tests/utils.jl
a1ead17
@longemen3000
typo in utils.jl
8a8a670
@longemen3000
another typo in utils.jl
50ffacf
@longemen3000
use Base.include
b1162ba
@longemen3000
fix pc tests
2571477
@longemen3000 longemen3000 merged commit ea0d6f1 into master Mar 25, 2024
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@longemen3000