Reading multiple files using read_data command.

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1

Dear Users,

I am trying to build my system using multiple files read option in read_data command (version 23Oct2015). Here is the commands I have used.

2

Please post your input script and small versions

of your data file(s) that trigger the problem.

Steve

3

Dear Steve,

Please find the attached Input script file and data files.

Thank You.

bulk.lammpsdata (780 KB)

in.lammps_replicate (453 Bytes)

molecule1.lammpsdata (1.63 KB)

4

Dear Steve,

Please find the attached Input script file and data files.

you need to apply the following change to read_data.cpp

diff --git a/src/read_data.cpp b/src/read_data.cpp
index dfafa8a..ea68d50 100644
--- a/src/read_data.cpp
+++ b/src/read_data.cpp
@@ -881,19 +881,19 @@ void ReadData::header(int firstpass)
     } else if (strstr(line,"bonds")) {
       sscanf(line,BIGINT_FORMAT,&nbonds);
       if (addflag == NONE) atom->nbonds = nbonds;
- else atom->nbonds += nbonds;
+ else if (firstpass) atom->nbonds += nbonds;
     } else if (strstr(line,"angles")) {
       sscanf(line,BIGINT_FORMAT,&nangles);
       if (addflag == NONE) atom->nangles = nangles;
- else atom->nangles += nangles;
+ else if (firstpass) atom->nangles += nangles;
     } else if (strstr(line,"dihedrals")) {
       sscanf(line,BIGINT_FORMAT,&ndihedrals);
       if (addflag == NONE) atom->ndihedrals = ndihedrals;
- else atom->ndihedrals += ndihedrals;
+ else if (firstpass) atom->ndihedrals += ndihedrals;
     } else if (strstr(line,"impropers")) {
       sscanf(line,BIGINT_FORMAT,&nimpropers);
       if (addflag == NONE) atom->nimpropers = nimpropers;
- else atom->nimpropers += nimpropers;
+ else if (firstpass) atom->nimpropers += nimpropers;

     // Atom class type settings are only set by first data file

axel.