diff --git a/RMD_Digging manual V2.pdf b/RMD_Digging manual V2.pdf new file mode 100644 index 0000000..c6be43f Binary files /dev/null and b/RMD_Digging manual V2.pdf differ diff --git a/species/MWevolution_new.m b/species/MWevolution_new.m index 822830e..a73549d 100644 --- a/species/MWevolution_new.m +++ b/species/MWevolution_new.m @@ -44,8 +44,8 @@ STEP(i)=str2num(MWDfram{1,i}); end case 2 - minstep=input('\nPlease input the minimum timestpe: \n'); - maxstep=input('\nPlease input the maximum timestpe: \n'); + minstep=input('\nPlease input the minimum timestep: \n'); + maxstep=input('\nPlease input the maximum timestep: \n'); dumpevery=input('\nPlease input the output frequency of species file by lammps: \n'); STEP(1)=maxstep(1);STEP(2)=minstep(1); MWDfram=input('\nPlease input the common difference of monotonically increasing frames, must be the integral multiple of output frequency of species file: \n'); diff --git a/species/species_capture.m b/species/species_capture.m index 6ca0bde..5d2cc9a 100644 --- a/species/species_capture.m +++ b/species/species_capture.m @@ -8,7 +8,7 @@ disp('References: 1.Fuel 287 (2021) 119484. 2.ACS Appl. Mat. Interfaces 13(34) (2021) 41287-41302. More work is coming!') disp('##################################################################################################################################') disp('When species_analysis is executed, this procedure can obtain the interested species') -species=input('Please input the molecular formula, should be lin line with the species file, especially the element sequence, \nmultiple molecular formula can be seperated by white space: \n','s'); +species=input('Please input the molecular formula, should be lin line with the species file, especially the element sequence, \nmultiple molecular formulas can be seperated by white space: \n','s'); species=upper(species); fprintf('\n\nspecies_capture is running, please wait...\n\n') species=strtrim(species); diff --git a/species/statisave.m b/species/statisave_matrix.m similarity index 97% rename from species/statisave.m rename to species/statisave_matrix.m index eb86b71..5760ec7 100644 --- a/species/statisave.m +++ b/species/statisave_matrix.m @@ -7,6 +7,7 @@ disp('Repository adress of the Source code on github: https://github.com/dadaoqiuzhi/RMD_Digging'); disp('References: 1.Fuel 287 (2021) 119484. 2.ACS Appl. Mat. Interfaces 13(34) (2021) 41287-41302. More work is coming!') disp('##################################################################################################################################') +fprintf('\nMatrix data is required\n'); datasource=input('Where is the source data from: 1.Excel, 2.matrix in workspace. Input the No.: \n'); if datasource==1 datasource=xlsread('input_data.xlsx'); diff --git a/species/statistics.m b/species/statistics_cell.m similarity index 98% rename from species/statistics.m rename to species/statistics_cell.m index a780250..d404066 100644 --- a/species/statistics.m +++ b/species/statistics_cell.m @@ -7,6 +7,7 @@ disp('Repository adress of the Source code on github: https://github.com/dadaoqiuzhi/RMD_Digging'); disp('References: 1.Fuel 287 (2021) 119484. 2.ACS Appl. Mat. Interfaces 13(34) (2021) 41287-41302. More work is coming!') disp('##################################################################################################################################') +fprintf('\nCell data is required\n'); statans=input('Average data? y/n:\n','s'); statans=lower(statans); if statans=='y'