git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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11
src/update.h
11
src/update.h
@ -15,6 +15,7 @@
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#define LMP_UPDATE_H
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#include "pointers.h"
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#include "lmptype.h"
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namespace LAMMPS_NS {
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@ -22,19 +23,19 @@ class Update : protected Pointers {
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public:
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double dt; // timestep
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double etol,ftol; // minimizer tolerances on energy/force
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int ntimestep; // current step (dynamics or min iterations)
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bigint ntimestep; // current step (dynamics or min iterations)
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int nsteps; // # of steps to run (dynamics or min iter)
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int whichflag; // 0 for unset, 1 for dynamics, 2 for min
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int firststep,laststep; // 1st & last step of this run
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int beginstep,endstep; // 1st and last step of multiple runs
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bigint firststep,laststep; // 1st & last step of this run
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bigint beginstep,endstep; // 1st and last step of multiple runs
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int first_update; // 0 before initial update, 1 after
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int max_eval; // max force evaluations for minimizer
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int restrict_output; // 1 if output should not write dump/restart
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int setupflag; // set when setup() is computing forces
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int multireplica; // 1 if min across replicas, else 0
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int eflag_global,eflag_atom; // timestep global/peratom eng is tallied on
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int vflag_global,vflag_atom; // ditto for virial
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bigint eflag_global,eflag_atom; // timestep global/peratom eng is tallied on
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bigint vflag_global,vflag_atom; // ditto for virial
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char *unit_style;
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