forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3158 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -133,11 +133,12 @@ void Output::setup(int flag)
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// will not write on last step of run unless multiple of every
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// set next_dump_any to smallest next_dump
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// if no dumps, set next_dump_any to last+1 so will not influence next
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// dump custom may invoke computes so wrap with clear/add
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// dump custom/cfg may invoke computes so wrap with clear/add
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if (ndump && update->restrict_output == 0) {
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for (int idump = 0; idump < ndump; idump++) {
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if (strcmp(dump[idump]->style,"custom") == 0)
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if (strcmp(dump[idump]->style,"custom") == 0 ||
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strcmp(dump[idump]->style,"cfg") == 0)
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modify->clearstep_compute();
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if ((ntimestep % dump_every[idump] == 0 &&
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last_dump[idump] != ntimestep) || last_dump[idump] < 0) {
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@ -146,7 +147,8 @@ void Output::setup(int flag)
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}
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next_dump[idump] =
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(ntimestep/dump_every[idump])*dump_every[idump] + dump_every[idump];
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if (strcmp(dump[idump]->style,"custom") == 0)
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if (strcmp(dump[idump]->style,"custom") == 0 ||
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strcmp(dump[idump]->style,"cfg") == 0)
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modify->addstep_compute(next_dump[idump]);
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if (idump) next_dump_any = MYMIN(next_dump_any,next_dump[idump]);
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else next_dump_any = next_dump[0];
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@ -199,17 +201,19 @@ void Output::setup(int flag)
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void Output::write(int ntimestep)
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{
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// next_dump does not force output on last step of run
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// dump custom may invoke computes so wrap with clear/add
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// dump custom/cfg may invoke computes so wrap with clear/add
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if (next_dump_any == ntimestep) {
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for (int idump = 0; idump < ndump; idump++) {
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if (next_dump[idump] == ntimestep && last_dump[idump] != ntimestep) {
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if (strcmp(dump[idump]->style,"custom") == 0)
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if (strcmp(dump[idump]->style,"custom") == 0 ||
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strcmp(dump[idump]->style,"cfg") == 0)
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modify->clearstep_compute();
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dump[idump]->write();
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last_dump[idump] = ntimestep;
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next_dump[idump] += dump_every[idump];
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if (strcmp(dump[idump]->style,"custom") == 0)
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if (strcmp(dump[idump]->style,"custom") == 0 ||
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strcmp(dump[idump]->style,"cfg") == 0)
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modify->addstep_compute(next_dump[idump]);
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}
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if (idump) next_dump_any = MYMIN(next_dump_any,next_dump[idump]);
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