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https://github.com/arcan1s/moldyn.git
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Added documentatiion in russian
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@ -1,5 +1,5 @@
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mm_statgen - program that analyzes molecular dynamic trajectories using topological analysis
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Version: 1.0.3
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Version: 1.1.0
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License: GPL
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Usage:
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@ -32,7 +32,7 @@ PROJECT_NAME = mm_statgen
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# This could be handy for archiving the generated documentation or
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# if some version control system is used.
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PROJECT_NUMBER = V.1.0.3
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PROJECT_NUMBER = V.1.1.0
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# Using the PROJECT_BRIEF tag one can provide an optional one line description
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# for a project that appears at the top of each page and should give viewer
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@ -92,7 +92,7 @@ int printing_head (const char *output, const int log, const int quiet,
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FILE *f_out;
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f_out = fopen (output, "w");
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fprintf (f_out, "statgen ::: V.1.0.3\n\n");
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fprintf (f_out, "statgen ::: V.1.1.0\n\n");
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fprintf (f_out, "CONFIGURATION\n");
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fprintf (f_out, "LOG=%i\nQUIET=%i\n", log, quiet);
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@ -168,7 +168,7 @@ int main (int argc, char *argv[])
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{
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sprintf (tmp_str, " mm_statgen\n");
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sprintf (tmp_str, "%sProgram for analyze molecular dynamic trajectories\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.0.3 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%sVersion : 1.1.0 License : GPL\n", tmp_str);
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sprintf (tmp_str, "%s Evgeniy Alekseev aka arcanis\n", tmp_str);
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sprintf (tmp_str, "%s E-mail : esalexeev@gmail.com\n\n", tmp_str);
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sprintf (tmp_str, "%sUsage:\n", tmp_str);
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@ -71,11 +71,11 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
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x = type_agl[0] + type_agl[1];
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type[0] = type_agl[0];
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type[1] = type_agl[1];
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fprintf (f_out, "LINEAR=%7.5f\nCYCLE=%7.5f\n--------------------\n", type[0]/x, type[1]/x);
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fprintf (f_out, "LINEAR=%.5f\nCYCLE=%.5f\n--------------------\n", type[0]/x, type[1]/x);
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// branched
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type[0] = type_agl[2];
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type[1] = type_agl[3];
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fprintf (f_out, "NOT BRANCHED=%7.5f\nBRANCHED=%7.5f\n--------------------\n", type[0]/x, type[1]/x);
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fprintf (f_out, "NOT BRANCHED=%.5f\nBRANCHED=%.5f\n--------------------\n", type[0]/x, type[1]/x);
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// n_cycle
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x = 0;
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for (i=4; i<max_depth+2; i++)
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@ -83,7 +83,7 @@ int summary_statistic (const char *filename, const int step, const int num_mol,
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for (i=4; i<max_depth+2; i++)
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{
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type[0] = type_agl[i];
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fprintf (f_out, "CYCLE_'%2i'=%7.5f\n", i-1, type[0]/x);
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fprintf (f_out, "CYCLE_'%2i'=%.5f\n", i-1, type[0]/x);
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}
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}
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