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ATC version 2.0, date: Aug21

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10638 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
rjones
2013-08-21 23:06:07 +00:00
parent 0f69054d68
commit d77ab2f96a
161 changed files with 3811 additions and 2548 deletions
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27
lib/atc/ATC_CouplingMomentum.h
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@ -9,7 +9,7 @@
#include "ElasticTimeIntegrator.h"
// Other headers
#include <map>
#include <string>
namespace ATC {
@ -54,14 +54,14 @@ namespace ATC {
/** post time integration */
virtual void finish();
#ifdef OBSOLETE
/** first time, before atomic integration */
virtual void pre_init_integrate();
/** first time, after atomic velocity but before position integration */
virtual void mid_init_integrate();
/** first time, after atomic integration */
virtual void post_init_integrate();
#endif
/** second time, before atomic integration */
virtual void pre_final_integrate();
/** second time, after atomic integration */
@ -98,17 +98,6 @@ namespace ATC {
/** set up data which is dependency managed */
virtual void construct_transfers();
// ghost atom routines
/** set ghost function positions based on FE state */
virtual void set_ghost_atoms();
/** analagous to FixATC initial_integrate applied to ghosts */
void initial_integrate_ghost();
/** analagous to FixATC final_integrate applied to ghosts */
void final_integrate_ghost();
/** forces on dynamic ghosts */
void add_ghost_forces();
void apply_ghost_forces();
/** adds resetting of any kinetostat arrays associated with local atom count */
virtual void reset_nlocal();
@ -129,14 +118,10 @@ namespace ATC {
Array2D<bool> velocityMask_;
// Add in fields for restarting
virtual void read_restart_data(string fileName_, RESTART_LIST & data);
virtual void write_restart_data(string fileName_, RESTART_LIST & data);
virtual void read_restart_data(std::string fileName_, RESTART_LIST & data);
virtual void write_restart_data(std::string fileName_, RESTART_LIST & data);
void pack_elastic_fields(RESTART_LIST & data);
// boundary dynamics
BoundaryDynamicsType boundaryDynamics_;
double gamma_, mu_, kappa_;
// data
double refPE_;