https://github.com/simonom/PyCHAM

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Revision Author Date Message Commit Date
fdc924d improved README 18 March 2024, 15:52:47 UTC
6931a14 editing just cleaning up text 27 February 2024, 18:09:39 UTC
b3290a7 particle plotting improved users can now make stackplots of PM component masses, risk factor associated with those masses and oxidation potential of components 26 February 2024, 15:56:14 UTC
3c5b908 dilution of water water dilution turned off in cham_up when RH stated 15 February 2024, 06:52:37 UTC
5d2f425 pp_dursim fixed pp_dursim corrected so that it can dal with more than one seed component 14 February 2024, 15:44:11 UTC
c291e26 mod_var_read improved mod_var_read.py improved by allowing C0 variable to be set based on latest method for storing chemical scheme names of components 14 February 2024, 11:39:04 UTC
707b771 corrected save.py save.py was corrected so that any created cont_infl.xlsx file has sheet name cont_infl 13 February 2024, 14:33:47 UTC
58e098f bits and pieces sorted bits and pieces 12 February 2024, 23:29:03 UTC
24dee97 corrected some typos some typos in plotter_gp were corrected 09 February 2024, 17:16:14 UTC
aa7d602 emission rate estimation using known concentrations, model can now estimate emission rates required to meet those concentrations and store as a continuous influx file 08 February 2024, 16:08:14 UTC
47a3434 updated readme readme now clearer regarding temperature and rh constraints 07 February 2024, 15:12:28 UTC
d19d5b0 updated fig01_mod_var GMD paper fig01_mod_var.txt and fig01_res_plot.py were incompatible with PyCHAM updates, so they have been updated 01 February 2024, 15:59:57 UTC
dfea81e accomm_coeff module fixed accomm_coeff calculation module fixed to reflect that kimt now includes walls 31 January 2024, 17:42:49 UTC
d96f31d negligible partitioning zeroed and spin-up to reduce stiffness when gas-particle partitioning components reduce to very small concentrations, gas-particle partitioning of these species is now turned off in partit_var.py. Furthermore, users may now specify to spin-up a simulation. 31 January 2024, 16:47:10 UTC
5a96f06 easier finding of obs_file obs_file stored in same folder as model variables file will be automatically found 29 January 2024, 17:09:18 UTC
ebf8bbe updated MAN OFR photo file MAN OFR actinic flux file updated to latest understanding of lamps 26 January 2024, 11:39:16 UTC
fc5d026 fixed H:C ratios prop_calc was not giving correct H:C values for aromatics, so corrected this 26 January 2024, 09:59:11 UTC
5ad7122 sum components users now have the option to sum the abundances of components when viewing abundances in the plotting tab 22 January 2024, 12:34:37 UTC
d00b87c improved plotter_pp can specify carbon and oxygen number when plotting particle-phase mass fractions of component groups 18 January 2024, 17:58:46 UTC
f3ce90f bug fixes fixed bugs affecting prop_calc and vol_contr_analys 17 January 2024, 16:17:12 UTC
1d52ca4 improved plots some plotting codes had bugs, so corrected these 16 January 2024, 17:51:59 UTC
f7af114 compatible with updated MCM can deal with new MCM features like new characters in KPP formats and new syntax for photolysis rate coefficients 12 January 2024, 17:35:38 UTC
e59ccdf tidied up modules just tidying text 11 January 2024, 16:22:12 UTC
f15f8b1 model variables file can be automatically seen an unintended loss of indent had stopped the model variable file being seen inside a folder of input files, so corrected this issue 09 January 2024, 15:22:04 UTC
d89106a can see individual vapour pressures vapour pressures of individual species can now be seen 08 January 2024, 16:04:47 UTC
eb3e848 view individual properties users can view the properties of individual components 03 January 2024, 11:29:09 UTC
be5d7d9 better able to deal with cont_influx file more robust at dealing with reading in a xlsx file containing continuous influxes 21 November 2023, 18:56:42 UTC
0f61d8e Merge branch 'master' of https://github.com/simonom/PyCHAM 20 November 2023, 22:16:24 UTC
4b0d7a7 vs particle observations users can now compare simulated particle mass concentration against observed 20 November 2023, 14:37:07 UTC
df79910 Merge branch 'master' of https://github.com/simonom/PyCHAM 10 November 2023, 14:16:59 UTC
8f1dcc5 updated README install for Windows instructions updated 10 November 2023, 14:14:02 UTC
a676965 Merge branch 'master' of https://github.com/simonom/PyCHAM 10 November 2023, 11:51:32 UTC
cfb316a updated Windows install Windows installation (via conda) method updated through the winenv yml and README instrcutions 10 November 2023, 11:46:34 UTC
71ea852 bugs fixed and windows install improved solving environment step of conda install for windows version was taking too long when openbabel included in list of dependencies, so openbabel removed and users now should install this after 06 November 2023, 13:40:45 UTC
1f58c0d improved path references changed references to PyCHAM path so that the path is defined by the position of the PyCHAM modules rather than by the calling code, which means that PyCHAM can be called from outside its home directory, which is useful for automatic calling, like that needed with INGENIOUS 23 October 2023, 15:22:48 UTC
82940bb cham_env update physical conditions of environment now plotted correctly 18 October 2023, 06:20:27 UTC
64755c8 continuous influx updates now possible to state continuous influx of gases and particles for a single day and this will be repeated over total number of days in simulation 17 October 2023, 16:03:15 UTC
93e3278 fixed bug corrected cham_up code to be more accepting of user-provided units of continuous influx rates 16 October 2023, 15:03:03 UTC
b4a10fd improved const_infl now code tells user if there it cannot interpret units of continuous influx 16 October 2023, 14:53:08 UTC
3de1802 updated README 06 October 2023, 16:24:23 UTC
d2de6d4 improved automated calling 25 September 2023, 16:20:38 UTC
5a0275b fixed the issue with HNO3 photolysis HNO3 photolysis dependence on temperature was being overestimated due to an error with the B parameter in the associated photolysis file. This has been corrected 25 September 2023, 10:38:58 UTC
cf059e1 fixed bugs in ode break code code to write error message when ode solver fails to complete now works again 19 September 2023, 07:37:27 UTC
59995bc improved automated calling automated calling now allows continuous input of components throughout starter simulations, including ozone since this has synoptic transport from production regions 18 September 2023, 13:21:23 UTC
692ef83 improved automated calling improved automated calling 14 September 2023, 06:53:08 UTC
45e0a48 improved automated calling 13 September 2023, 07:39:25 UTC
26fed38 EAC inputs Included the inputs for creating the plots shown at European Aerosol Conference 2023 (Malaga) 06 September 2023, 18:15:26 UTC
0e103ef MCM PAN species PAN species from the MCM no longer have vapour pressure estimated by Mohr method, instead use UManSysProp 20 July 2023, 06:34:31 UTC
d304eb2 minor improvements a few small improvements 15 July 2023, 08:30:29 UTC
c700851 automated call improved improvements made to automated call 12 July 2023, 04:53:13 UTC
187c723 minor bugs resolved minor bugs resolved 11 July 2023, 21:49:09 UTC
3bab22d minor bug fixes some minor bug fixes were resolved 10 July 2023, 07:18:23 UTC
15ad041 auto call improved improved automatic calling of PyCHAM 05 July 2023, 06:19:52 UTC
aa198bf water extraction and influx water extraction and influx now solved when particles not present, whereas previously these processes were being omitted in simulations without particles 03 July 2023, 15:36:59 UTC
0dddea7 auto call debugged const_infl when in finisher mode on auto call now in correct format when passing to PyCHAM 30 June 2023, 15:55:20 UTC
db4e1dc bug affecting cont_infl code for reading in continuous influxes from excel files was almost non-existent, but working now 30 June 2023, 15:23:58 UTC
2074977 better indexing by functional group improved the indexing of components by their functional group 29 June 2023, 13:52:46 UTC
d18d250 group indexing improved better indexing of component grouping by functional group 29 June 2023, 08:01:27 UTC
d5d148b indices improved grouping of indices was improved 28 June 2023, 15:44:42 UTC
4e3ff12 surface reactions and CIMS plotting surface reactions now dealt with in ode solver and more choices on how to plot CIMS results 22 June 2023, 15:34:36 UTC
9d3bd9a jacobian setup jac_setup fixed to correctly label rows when surface reactions present 20 June 2023, 06:07:53 UTC
792118f consumption improved consumption module can now deal with results saved in place different to their original saved location 15 June 2023, 15:41:37 UTC
2fb65df obs_file recognised When in pars_skip = 1 mode, observation files are now recognised and implemented 15 June 2023, 08:44:09 UTC
a90bc71 error message error message should now be given if model variables file cannot be read 14 June 2023, 15:23:38 UTC
3767da3 number size distribution fixed bug stopping display of initial number size distribution 13 June 2023, 17:30:33 UTC
e5e29df improved automatic calling automatic calling can also deal with non-interaction chemical scheme 06 June 2023, 21:05:34 UTC
4eb5e65 quicker loading saved results now load much quicker, but are saved in a new format and so old results are not compatible (cannot be loaded) with this update 05 June 2023, 17:58:06 UTC
7884de1 automated running improved range of automated runs that can be completed 02 June 2023, 15:36:29 UTC
3613810 integration failure failure now leads to reduced time step rather than crashing 01 June 2023, 15:25:32 UTC
65988d8 skipping parsing improved for simulations using same chemical scheme in batch, one can now skip parsing to reduce setup time 01 June 2023, 09:57:20 UTC
62b3338 tidied up tidier now 25 May 2023, 15:21:47 UTC
31b2471 better dealing with input xlsx better interpretation of xlsx files containing influxes and wall loss rate coefficients 23 May 2023, 15:31:26 UTC
b7a0ecb corrected path to logo in README corrected path to logo in README 23 May 2023, 06:27:43 UTC
f42efa1 logo on README corrected path to PyCHAM logo for README 23 May 2023, 06:25:19 UTC
76875dd improved multiple wall loss rates Debugged interpretation of multiple wall loss rates 23 May 2023, 06:23:06 UTC
ae34f75 Wall losses from spreasheet Can now tell model setup wall loss rates from a spreadsheet file 22 May 2023, 21:30:56 UTC
a209c0d updated Jacobian for influxes Jacobian now accounts for continuous influxes of components 20 May 2023, 16:33:40 UTC
c7f6638 Update setup.py Forgot to update version number on last commit, so done in this commit 19 May 2023, 16:02:50 UTC
8e9a897 improved continuous influx continuous influx of components now better represented 19 May 2023, 16:02:01 UTC
95a4378 bugs fixed constant influxes from excel file debugged 18 May 2023, 15:21:02 UTC
7b88ff4 umansysprop update 18 May 2023, 12:52:00 UTC
6226df3 better path improved umansysprop path 18 May 2023, 12:44:17 UTC
e429aa5 umansysprop fix corrected path to __init__/py in umansysprop data 18 May 2023, 12:35:05 UTC
7a71c16 bypass old umansysprop correct import pybel in umansysprop 18 May 2023, 12:11:21 UTC
8a31488 improved linenv.yml more reliable installation on linux 18 May 2023, 11:53:08 UTC
2a9afe0 updated linenv.yml linenv.yml should now work on linux machines 18 May 2023, 11:30:52 UTC
e002e31 improved linenv.yml Updated linenv.yml to make compatible with current package repositories 17 May 2023, 15:10:14 UTC
e7f02ce xml generator SMILES_generator.py provided for creating SMILES and adding them to xml file 10 May 2023, 09:43:53 UTC
f60f308 fixed bug fixed bug stopping simulations with both walls and particles present (the setting of the rowvals variable was wrong) 25 April 2023, 16:57:12 UTC
cd10c2a progress bar for loading results users can select results in less clicks and see a progress bar for how long results are taking to load 19 April 2023, 08:13:23 UTC
4b40766 improved retrieved quicker loading of outputs 18 April 2023, 14:51:17 UTC
dbfaa4d retr_out improved clarity and speed of opening saved results 17 April 2023, 16:31:06 UTC
4f17dec readme readme edited 14 April 2023, 15:24:30 UTC
33860d7 transmission factor transmission factor of light now saved in outputs as an environmental condition 13 April 2023, 16:36:32 UTC
fe9ea33 surface chemistry and automated call surface chemistry is now supported and improvements made to the module for automatic calling 13 April 2023, 13:36:58 UTC
e684772 readme improved readme improved for the indoor air quality modelling section 02 March 2023, 17:31:36 UTC
afc6428 corrected address to README images images should now show via README 02 March 2023, 16:07:07 UTC
f3b42b9 improved README README now better describes indoor air quality modelling 02 March 2023, 16:01:49 UTC
aa071f8 accommodation coefficient updates partit_var module now imports the most up-to-date module for accommodation coefficient 23 February 2023, 07:49:34 UTC
cec2c94 tidied up automated calling calling can now deal with Windows and Mac conventions for separating parts of a path name 22 February 2023, 19:11:58 UTC
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