Skip to content
New issue

Have a question about this project? # for a free GitHub account to open an issue and contact its maintainers and the community.

#

By clicking “#”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? # to your account

Viscosity #63

Merged
merged 11 commits into from
May 29, 2024
Merged

Viscosity #63

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
11 commits
Select commit Hold shift + click to select a range
6ed2abb
Fixed problem with N vs NO3, for example, converting units with calcu…
dlparkhurst May 27, 2024
f35c484
using new density calc
dlparkhurst May 27, 2024
728634f
updated InternalCopy
dlparkhurst May 27, 2024
d78ec44
mistake in salt_sc
dlparkhurst May 27, 2024
99c50a4
Merge remote-tracking branch 'upstream/master' into viscosity
scharlton2 May 28, 2024
bfd28a3
[phreeqc3] Updated ctest/ctest.regression outputs
scharlton2 May 28, 2024
db9b849
[phreeqc3] Added convert_units to TESTS
scharlton2 May 28, 2024
c8f9248
[phreeqc3] Made it so tests can be run in parallel
scharlton2 May 28, 2024
067ebd9
Re-added long_memcheck to cmemcheck
scharlton2 May 28, 2024
9cb289b
[phreeqc3] Made it so tests can be run in parallel
scharlton2 May 28, 2024
2e0d42d
[phreeqc3] Made it so tests can be run in parallel
scharlton2 May 28, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
31 changes: 21 additions & 10 deletions .gitignore
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -96,26 +96,37 @@
/mytest/ex8.sel
/mytest/k10i.dmp 1
/mytest/k10i.prn
/mytest/kinetic_rates.inc
/mytest/kinetic_rates_carbfix.inc
/mytest/list_of_files.txt
/mytest/make.out
/mytest/out
/mytest/out1
/mytest/phreeqc.log
/mytest/reldiff.exe
/mytest/rho24.prn
/mytest/rho49.prn
/mytest/rho5.prn
/mytest/rho74.prn
/mytest/rho99.prn
/mytest/rhoCaKMgNaCl15.prn
/mytest/rhoCaKMgNaCl25.prn
/mytest/rhoCaKMgNaCl35.prn
/mytest/rhoCaKMgNaCl45.prn
/mytest/rho_CaKMgNaCl.15.prn
/mytest/rho_CaKMgNaCl.25.prn
/mytest/rho_CaKMgNaCl.35.prn
/mytest/rho_CaKMgNaCl.45.prn
/mytest/rho_CaNaCl.25.prn
/mytest/rho_CaNaCl.49.prn
/mytest/rho_CaNaCl.5.prn
/mytest/rho_CaNaCl.99.prn
/mytest/rho_MgCaCl.24.prn
/mytest/rho_MgCaCl.49.prn
/mytest/rho_MgCaCl.5.prn
/mytest/rho_MgCaCl.74.prn
/mytest/rho_MgCaCl.99.prn
/mytest/rho_MgNaCl.24.prn
/mytest/rho_MgNaCl.49.prn
/mytest/rho_MgNaCl.5.prn
/mytest/rho_MgNaCl.74.prn
/mytest/rho_MgNaCl.99.prn
/mytest/run_copy_test.bat
/mytest/sel_o$$$101.prn
/mytest/selected.sel
/mytest/selected_output_1.sel
/mytest/selected_output_100.sel
/mytest/selected.sel


# /packages/
Expand Down
4 changes: 2 additions & 2 deletions cmemcheck.cmake
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -25,9 +25,9 @@ ctest_update()
ctest_configure(OPTIONS "-DPHRQC_TESTING:BOOL=ON;-DPHRQC_ENABLE_REGRESSION_TESTING:BOOL=ON")
ctest_build()
if(${CMAKE_VERSION} VERSION_LESS "3.29")
ctest_memcheck(EXCLUDE "numdiff" EXCLUDE_LABEL "long_memcheck" PARALLEL_LEVEL 2)
ctest_memcheck(EXCLUDE "numdiff" PARALLEL_LEVEL 2)
else()
ctest_memcheck(EXCLUDE "numdiff" EXCLUDE_LABEL "long_memcheck" PARALLEL_LEVEL)
ctest_memcheck(EXCLUDE "numdiff" PARALLEL_LEVEL)
endif()
##ctest_coverage()
ctest_submit()
28 changes: 28 additions & 0 deletions ctest.regression.cmake
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,28 @@
include(CTestConfig.cmake)

site_name(CTEST_SITE)
set(CTEST_BUILD_NAME ${CMAKE_HOST_SYSTEM_NAME})

set(CTEST_SOURCE_DIRECTORY "${CTEST_SCRIPT_DIRECTORY}")
set(CTEST_BINARY_DIRECTORY "${CTEST_SCRIPT_DIRECTORY}/_ctest_regression")

set(CTEST_CMAKE_GENERATOR Ninja)
set(CTEST_CONFIGURATION_TYPE Release)
set(CTEST_BUILD_CONFIGURATION Release)
set(CTEST_USE_LAUNCHERS 1)

set(CTEST_UPDATE_TYPE git)
set(CTEST_UPDATE_COMMAND git)
set(CTEST_UPDATE_VERSION_ONLY TRUE)

ctest_empty_binary_directory(${CTEST_BINARY_DIRECTORY})
ctest_start("Continuous")
ctest_update()
ctest_configure(OPTIONS "-L;-DPHRQC_TESTING:BOOL=ON;-DPHRQC_ENABLE_REGRESSION_TESTING:BOOL=ON")
ctest_build()
if(${CMAKE_VERSION} VERSION_LESS "3.29")
ctest_test(PARALLEL_LEVEL 2)
else()
ctest_test(PARALLEL_LEVEL)
endif()
ctest_submit()
20 changes: 10 additions & 10 deletions mytest/Apelbl_Na2CO3_101.sel
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,7 @@
0.293028325421 23604.6556049529
0.292331853449 24989.9313690060
0.291574132434 26394.6461614979
0.290750784806 27816.6421372618
0.290750784806 27816.6421372619
0.289857277851 29253.7130065236
0.288888946296 30703.6185953790
0.287841020412 32164.1024288778
Expand All @@ -34,7 +34,7 @@
1.487265581930 68297.9196619616
1.485808640573 72976.5196985747
1.484197145615 77772.2089693323
1.482417073400 82679.1373338115
1.482417073400 82679.1373338116
1.480453527266 87691.0465860404
1.478290741573 92801.2540960221
1.475912094976 98002.6423111429
Expand All @@ -43,11 +43,11 @@
1.467302506123 114076.1124448936
1.463878146318 119562.2673447514
2.993339027734 48453.1398835601
2.992559886562 53609.2542917095
2.992559886562 53609.2542917096
2.991687529024 59035.7984547208
2.990711603363 64728.0561789606
2.989620779146 70682.0819718209
2.988402689135 76894.3007297367
2.990711603363 64728.0561789607
2.989620779146 70682.0819718210
2.988402689135 76894.3007297368
2.987043874259 83361.2228418772
2.985529729263 90079.2327757674
2.983844453863 97043.6424100383
Expand All @@ -56,9 +56,9 @@
2.977584957445 119375.9473687742
2.975031714224 127280.8807421621
2.972208955161 135405.4196082466
2.969092923149 143741.9290931642
2.969092923149 143741.9290931643
2.965658469592 152281.9370640457
2.961879060733 161016.0880609812
2.957726795738 169934.0996395293
2.953172438483 179024.7207651728
2.961879060733 161016.0880609813
2.957726795738 169934.0996395294
2.953172438483 179024.7207651729
2.948185464229 188275.6927265270
8 changes: 4 additions & 4 deletions mytest/Barite_NaCl_101.sel
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -7,11 +7,11 @@
0.400364693698 57222.9247020042
0.500406770410 69718.0744922145
1.000567610166 126136.9690020272
1.500679814665 174310.4942820993
1.500679814665 174310.4942820992
2.000764692930 215513.6140177896
2.500833912608 250554.2603474330
3.000895566310 280095.1117759011
2.500833912608 250554.2603474331
3.000895566310 280095.1117759012
3.500955892585 304730.5414132080
4.001020109971 325007.9380604312
4.501092983658 341433.0067603534
5.001179297195 354470.5266408466
5.001179297195 354470.5266408467
1 change: 1 addition & 0 deletions mytest/CMakeLists.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -76,6 +76,7 @@ set(TESTS
colt5
comments
connect_graph
convert_units
count_database_species
count_database_species_core10
Cub
Expand Down
24 changes: 12 additions & 12 deletions mytest/CO2_4M_NaCl_101.sel
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
Mu SC
4.000000490916 455048.6811912977
4.001247967857 454091.5111450842
4.001380871828 453126.3792826433
4.001247967857 454091.5111450845
4.001380871828 453126.3792826435
4.001493781374 452216.1002093055
4.001597060715 451358.2598224802
4.001694833813 450550.2486033604
Expand All @@ -12,23 +12,23 @@
4.004313948705 440325.4220754548
4.000001153692 620672.6363144728
4.004124259802 619651.7691235436
4.004359238051 618281.7646936887
4.004580074473 617041.6602998620
4.004359238051 618281.7646936890
4.004580074473 617041.6602998623
4.004795921470 615859.4137944980
4.005010390874 614732.1950253388
4.006109085946 609825.6829100745
4.007298685566 605911.1560109344
4.005010390874 614732.1950253389
4.006109085946 609825.6829100746
4.007298685566 605911.1560109346
4.008604911334 602734.5343740259
4.010037914393 600098.8825336950
4.010037914393 600098.8825336953
4.011601443280 597852.9879026789
4.000002154766 763602.8558908134
4.011528138170 762793.6533172551
4.011987389126 760806.0927390939
4.012439588203 759054.4521587262
4.012892778293 757372.1785013902
4.013350067035 755755.9559731657
4.013350067035 755755.9559731662
4.015737235890 748553.6984522080
4.018327982771 742555.5212173089
4.021136324470 737464.9048891113
4.024161061446 733048.6952923380
4.018327982771 742555.5212173091
4.021136324470 737464.9048891115
4.024161061446 733048.6952923383
4.027393640053 729123.4766801823
24 changes: 12 additions & 12 deletions mytest/CO2_Na2SO4_101.sel
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,23 +1,23 @@
Mu SC
2.999999770292 93119.8087529638
2.998694532488 91663.2882093084
2.998694532488 91663.2882093085
2.997941316568 121524.2865715225
2.997359461127 152555.2572770461
2.997157826323 185463.1883129383
2.997283259039 221325.0282725163
2.997808748329 261788.3408887661
2.997157826323 185463.1883129384
2.997283259039 221325.0282725164
2.997808748329 261788.3408887659
2.998822573383 305918.7560206657
3.000484747824 358824.1017886086
3.002940069169 417088.7169675998
3.006379869496 477726.6242984262
3.006379869496 477726.6242984263
5.999999711766 121656.8213089554
5.998778885487 120469.0236055731
5.998778885487 120469.0236055732
5.997718411993 165080.1934396008
5.997042173468 213461.2086664752
5.997101623483 266265.6513538664
5.997796377158 324802.0127993476
5.999270237401 390888.9241315379
5.997101623483 266265.6513538666
5.997796377158 324802.0127993478
5.999270237401 390888.9241315381
6.001706282464 462936.0970784739
6.005402799600 545805.4686074231
6.010651281101 633932.9521130843
6.017823784994 722868.0389424087
6.005402799600 545805.4686074234
6.010651281101 633932.9521130845
6.017823784994 722868.0389424091
Loading
Loading