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brief manual
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brief manual
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dadaoqiuzhi committed Jun 5, 2022
1 parent ec606ca commit 98b48c6
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Showing 5 changed files with 5 additions and 3 deletions.
Binary file added RMD_Digging manual V2.pdf
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4 changes: 2 additions & 2 deletions species/MWevolution_new.m
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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');
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2 changes: 1 addition & 1 deletion species/species_capture.m
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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);
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1 change: 1 addition & 0 deletions species/statisave.m → species/statisave_matrix.m
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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');
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1 change: 1 addition & 0 deletions species/statistics.m → species/statistics_cell.m
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Expand Up @@ -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'
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