fdc924d | Simon O'Meara | 18 March 2024, 15:52:47 UTC | improved README | 18 March 2024, 15:52:47 UTC |
6931a14 | Simon O'Meara | 27 February 2024, 18:09:39 UTC | editing just cleaning up text | 27 February 2024, 18:09:39 UTC |
b3290a7 | Simon O'Meara | 26 February 2024, 15:56:14 UTC | 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 | Simon O'Meara | 15 February 2024, 06:52:37 UTC | dilution of water water dilution turned off in cham_up when RH stated | 15 February 2024, 06:52:37 UTC |
5d2f425 | Simon O'Meara | 14 February 2024, 15:44:11 UTC | 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 | Simon O'Meara | 14 February 2024, 11:39:04 UTC | 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 | Simon O'Meara | 13 February 2024, 14:33:47 UTC | 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 | Simon O'Meara | 12 February 2024, 23:29:03 UTC | bits and pieces sorted bits and pieces | 12 February 2024, 23:29:03 UTC |
24dee97 | Simon O'Meara | 09 February 2024, 17:16:14 UTC | corrected some typos some typos in plotter_gp were corrected | 09 February 2024, 17:16:14 UTC |
aa7d602 | Simon O'Meara | 08 February 2024, 16:08:14 UTC | 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 | Simon O'Meara | 07 February 2024, 15:12:28 UTC | updated readme readme now clearer regarding temperature and rh constraints | 07 February 2024, 15:12:28 UTC |
d19d5b0 | Simon O'Meara | 01 February 2024, 15:59:57 UTC | 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 | Simon O'Meara | 31 January 2024, 17:42:49 UTC | accomm_coeff module fixed accomm_coeff calculation module fixed to reflect that kimt now includes walls | 31 January 2024, 17:42:49 UTC |
d96f31d | Simon O'Meara | 31 January 2024, 16:47:10 UTC | 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 | Simon O'Meara | 29 January 2024, 17:09:18 UTC | 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 | Simon O'Meara | 26 January 2024, 11:39:16 UTC | updated MAN OFR photo file MAN OFR actinic flux file updated to latest understanding of lamps | 26 January 2024, 11:39:16 UTC |
fc5d026 | Simon O'Meara | 26 January 2024, 09:59:11 UTC | 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 | Simon O'Meara | 22 January 2024, 12:34:37 UTC | 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 | Simon O'Meara | 18 January 2024, 17:58:46 UTC | 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 | Simon O'Meara | 17 January 2024, 16:17:12 UTC | bug fixes fixed bugs affecting prop_calc and vol_contr_analys | 17 January 2024, 16:17:12 UTC |
1d52ca4 | Simon O'Meara | 16 January 2024, 17:51:59 UTC | improved plots some plotting codes had bugs, so corrected these | 16 January 2024, 17:51:59 UTC |
f7af114 | Simon O'Meara | 12 January 2024, 17:35:38 UTC | 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 | Simon O'Meara | 11 January 2024, 16:22:12 UTC | tidied up modules just tidying text | 11 January 2024, 16:22:12 UTC |
f15f8b1 | Simon O'Meara | 09 January 2024, 15:22:04 UTC | 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 | Simon O'Meara | 08 January 2024, 16:04:47 UTC | can see individual vapour pressures vapour pressures of individual species can now be seen | 08 January 2024, 16:04:47 UTC |
eb3e848 | Simon O'Meara | 03 January 2024, 11:29:09 UTC | view individual properties users can view the properties of individual components | 03 January 2024, 11:29:09 UTC |
be5d7d9 | Simon O'Meara | 21 November 2023, 18:56:42 UTC | 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 | Simon O'Meara | 20 November 2023, 22:16:24 UTC | Merge branch 'master' of https://github.com/simonom/PyCHAM | 20 November 2023, 22:16:24 UTC |
4b0d7a7 | Simon O'Meara | 20 November 2023, 14:37:07 UTC | vs particle observations users can now compare simulated particle mass concentration against observed | 20 November 2023, 14:37:07 UTC |
df79910 | Simon O'Meara | 10 November 2023, 14:16:59 UTC | Merge branch 'master' of https://github.com/simonom/PyCHAM | 10 November 2023, 14:16:59 UTC |
8f1dcc5 | Simon O'Meara | 10 November 2023, 14:14:02 UTC | updated README install for Windows instructions updated | 10 November 2023, 14:14:02 UTC |
a676965 | Simon O'Meara | 10 November 2023, 11:51:32 UTC | Merge branch 'master' of https://github.com/simonom/PyCHAM | 10 November 2023, 11:51:32 UTC |
cfb316a | Simon O'Meara | 10 November 2023, 11:46:34 UTC | updated Windows install Windows installation (via conda) method updated through the winenv yml and README instrcutions | 10 November 2023, 11:46:34 UTC |
71ea852 | Simon O'Meara | 06 November 2023, 13:40:45 UTC | 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 | Simon O'Meara | 23 October 2023, 15:22:48 UTC | 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 | Simon O'Meara | 18 October 2023, 06:20:27 UTC | cham_env update physical conditions of environment now plotted correctly | 18 October 2023, 06:20:27 UTC |
64755c8 | Simon O'Meara | 17 October 2023, 16:03:15 UTC | 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 | Simon O'Meara | 16 October 2023, 15:03:03 UTC | 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 | Simon O'Meara | 16 October 2023, 14:53:08 UTC | improved const_infl now code tells user if there it cannot interpret units of continuous influx | 16 October 2023, 14:53:08 UTC |
3de1802 | Simon O'Meara | 06 October 2023, 16:24:23 UTC | updated README | 06 October 2023, 16:24:23 UTC |
d2de6d4 | Simon O'Meara | 25 September 2023, 16:20:38 UTC | improved automated calling | 25 September 2023, 16:20:38 UTC |
5a0275b | Simon O'Meara | 25 September 2023, 10:38:58 UTC | 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 | Simon O'Meara | 19 September 2023, 07:37:27 UTC | 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 | Simon O'Meara | 18 September 2023, 13:21:23 UTC | 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 | Simon O'Meara | 14 September 2023, 06:53:08 UTC | improved automated calling improved automated calling | 14 September 2023, 06:53:08 UTC |
45e0a48 | Simon O'Meara | 13 September 2023, 07:39:25 UTC | improved automated calling | 13 September 2023, 07:39:25 UTC |
26fed38 | Simon O'Meara | 06 September 2023, 18:15:26 UTC | EAC inputs Included the inputs for creating the plots shown at European Aerosol Conference 2023 (Malaga) | 06 September 2023, 18:15:26 UTC |
0e103ef | Simon O'Meara | 20 July 2023, 06:34:31 UTC | 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 | Simon O'Meara | 15 July 2023, 08:30:29 UTC | minor improvements a few small improvements | 15 July 2023, 08:30:29 UTC |
c700851 | Simon O'Meara | 12 July 2023, 04:53:13 UTC | automated call improved improvements made to automated call | 12 July 2023, 04:53:13 UTC |
187c723 | Simon O'Meara | 11 July 2023, 21:49:09 UTC | minor bugs resolved minor bugs resolved | 11 July 2023, 21:49:09 UTC |
3bab22d | Simon O'Meara | 10 July 2023, 07:18:23 UTC | minor bug fixes some minor bug fixes were resolved | 10 July 2023, 07:18:23 UTC |
15ad041 | Simon O'Meara | 05 July 2023, 06:19:52 UTC | auto call improved improved automatic calling of PyCHAM | 05 July 2023, 06:19:52 UTC |
aa198bf | Simon O'Meara | 03 July 2023, 15:36:59 UTC | 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 | Simon O'Meara | 30 June 2023, 15:55:20 UTC | 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 | Simon O'Meara | 30 June 2023, 15:23:58 UTC | 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 | Simon O'Meara | 29 June 2023, 13:52:46 UTC | better indexing by functional group improved the indexing of components by their functional group | 29 June 2023, 13:52:46 UTC |
d18d250 | Simon O'Meara | 29 June 2023, 08:01:27 UTC | group indexing improved better indexing of component grouping by functional group | 29 June 2023, 08:01:27 UTC |
d5d148b | Simon O'Meara | 28 June 2023, 15:44:42 UTC | indices improved grouping of indices was improved | 28 June 2023, 15:44:42 UTC |
4e3ff12 | Simon O'Meara | 22 June 2023, 15:34:36 UTC | 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 | Simon O'Meara | 20 June 2023, 06:07:53 UTC | jacobian setup jac_setup fixed to correctly label rows when surface reactions present | 20 June 2023, 06:07:53 UTC |
792118f | Simon O'Meara | 15 June 2023, 15:41:37 UTC | 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 | Simon O'Meara | 15 June 2023, 08:44:09 UTC | obs_file recognised When in pars_skip = 1 mode, observation files are now recognised and implemented | 15 June 2023, 08:44:09 UTC |
a90bc71 | Simon O'Meara | 14 June 2023, 15:23:38 UTC | error message error message should now be given if model variables file cannot be read | 14 June 2023, 15:23:38 UTC |
3767da3 | Simon O'Meara | 13 June 2023, 17:30:33 UTC | number size distribution fixed bug stopping display of initial number size distribution | 13 June 2023, 17:30:33 UTC |
e5e29df | Simon O'Meara | 06 June 2023, 21:05:34 UTC | improved automatic calling automatic calling can also deal with non-interaction chemical scheme | 06 June 2023, 21:05:34 UTC |
4eb5e65 | Simon O'Meara | 05 June 2023, 17:58:06 UTC | 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 | Simon O'Meara | 02 June 2023, 15:36:29 UTC | automated running improved range of automated runs that can be completed | 02 June 2023, 15:36:29 UTC |
3613810 | Simon O'Meara | 01 June 2023, 15:25:32 UTC | integration failure failure now leads to reduced time step rather than crashing | 01 June 2023, 15:25:32 UTC |
65988d8 | Simon O'Meara | 01 June 2023, 09:57:20 UTC | 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 | Simon O'Meara | 25 May 2023, 15:21:47 UTC | tidied up tidier now | 25 May 2023, 15:21:47 UTC |
31b2471 | Simon O'Meara | 23 May 2023, 15:31:26 UTC | 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 | Simon O'Meara | 23 May 2023, 06:27:43 UTC | corrected path to logo in README corrected path to logo in README | 23 May 2023, 06:27:43 UTC |
f42efa1 | Simon O'Meara | 23 May 2023, 06:25:19 UTC | logo on README corrected path to PyCHAM logo for README | 23 May 2023, 06:25:19 UTC |
76875dd | Simon O'Meara | 23 May 2023, 06:23:06 UTC | improved multiple wall loss rates Debugged interpretation of multiple wall loss rates | 23 May 2023, 06:23:06 UTC |
ae34f75 | Simon O'Meara | 22 May 2023, 21:30:56 UTC | Wall losses from spreasheet Can now tell model setup wall loss rates from a spreadsheet file | 22 May 2023, 21:30:56 UTC |
a209c0d | Simon O'Meara | 20 May 2023, 16:33:40 UTC | updated Jacobian for influxes Jacobian now accounts for continuous influxes of components | 20 May 2023, 16:33:40 UTC |
c7f6638 | Simon O'Meara | 19 May 2023, 16:02:50 UTC | Update setup.py Forgot to update version number on last commit, so done in this commit | 19 May 2023, 16:02:50 UTC |
8e9a897 | Simon O'Meara | 19 May 2023, 16:02:01 UTC | improved continuous influx continuous influx of components now better represented | 19 May 2023, 16:02:01 UTC |
95a4378 | Simon O'Meara | 18 May 2023, 15:21:02 UTC | bugs fixed constant influxes from excel file debugged | 18 May 2023, 15:21:02 UTC |
7b88ff4 | Simon O'Meara | 18 May 2023, 12:52:00 UTC | umansysprop update | 18 May 2023, 12:52:00 UTC |
6226df3 | Simon O'Meara | 18 May 2023, 12:44:17 UTC | better path improved umansysprop path | 18 May 2023, 12:44:17 UTC |
e429aa5 | Simon O'Meara | 18 May 2023, 12:35:05 UTC | umansysprop fix corrected path to __init__/py in umansysprop data | 18 May 2023, 12:35:05 UTC |
7a71c16 | Simon O'Meara | 18 May 2023, 12:11:21 UTC | bypass old umansysprop correct import pybel in umansysprop | 18 May 2023, 12:11:21 UTC |
8a31488 | Simon O'Meara | 18 May 2023, 11:53:08 UTC | improved linenv.yml more reliable installation on linux | 18 May 2023, 11:53:08 UTC |
2a9afe0 | Simon O'Meara | 18 May 2023, 11:30:52 UTC | updated linenv.yml linenv.yml should now work on linux machines | 18 May 2023, 11:30:52 UTC |
e002e31 | Simon O'Meara | 17 May 2023, 15:10:14 UTC | improved linenv.yml Updated linenv.yml to make compatible with current package repositories | 17 May 2023, 15:10:14 UTC |
e7f02ce | Simon O'Meara | 10 May 2023, 09:43:53 UTC | xml generator SMILES_generator.py provided for creating SMILES and adding them to xml file | 10 May 2023, 09:43:53 UTC |
f60f308 | Simon O'Meara | 25 April 2023, 16:57:12 UTC | 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 | Simon O'Meara | 19 April 2023, 08:13:23 UTC | 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 | Simon O'Meara | 18 April 2023, 14:51:17 UTC | improved retrieved quicker loading of outputs | 18 April 2023, 14:51:17 UTC |
dbfaa4d | Simon O'Meara | 17 April 2023, 16:31:06 UTC | retr_out improved clarity and speed of opening saved results | 17 April 2023, 16:31:06 UTC |
4f17dec | simonom | 14 April 2023, 15:24:30 UTC | readme readme edited | 14 April 2023, 15:24:30 UTC |
33860d7 | Simon O'Meara | 13 April 2023, 16:36:32 UTC | transmission factor transmission factor of light now saved in outputs as an environmental condition | 13 April 2023, 16:36:32 UTC |
fe9ea33 | Simon O'Meara | 13 April 2023, 13:36:58 UTC | 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 | Simon O'Meara | 02 March 2023, 17:31:36 UTC | readme improved readme improved for the indoor air quality modelling section | 02 March 2023, 17:31:36 UTC |
afc6428 | Simon O'Meara | 02 March 2023, 16:07:07 UTC | corrected address to README images images should now show via README | 02 March 2023, 16:07:07 UTC |
f3b42b9 | Simon O'Meara | 02 March 2023, 16:01:49 UTC | improved README README now better describes indoor air quality modelling | 02 March 2023, 16:01:49 UTC |
aa071f8 | Simon O'Meara | 23 February 2023, 07:49:34 UTC | 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 | Simon O'Meara | 22 February 2023, 19:11:58 UTC | 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 |