cleanup of relax_box method (98868cd6) · Commits · 郑智淋 / lammps

src/min_adaptglok.cpp

+2 −8

Changes for src/min_adaptglok.cpp: 2 added lines, 8 removed lines.
Original line number	Diff line number	Diff line
		@@ -16,7 +16,6 @@
		#include "universe.h"
		#include "atom.h"
		#include "force.h"
		#include "pair.h"
		#include "update.h"
		#include "output.h"
		#include "timer.h"
		@@ -27,8 +26,6 @@
		#include "domain.h"
		#include "neighbor.h"
		#include "comm.h"
		#include "irregular.h"
		#include "change_box.h"

		using namespace LAMMPS_NS;

		@@ -143,11 +140,6 @@ void MinAdaptGlok::save_box_state()
		deform the simulation box and remap the particles
		------------------------------------------------------------------------- */

		void MinAdaptGlok::relax_box1()
		{

		}

		void MinAdaptGlok::relax_box()
		{
		// rescale simulation box and scale atom coords for all atoms
		@@ -184,6 +176,7 @@ void MinAdaptGlok::relax_box()
		}

		// reset global and local box to new size/shape

		domain->set_initial_box();
		domain->set_global_box();
		domain->set_local_box();
		@@ -191,6 +184,7 @@ void MinAdaptGlok::relax_box()
		// convert atoms to lamda coords, using last box state
		// convert atoms back to box coords, using current box state
		// save current box state

		for (i = 0; i < nlocal; i++)
		domain->x2lamda(x[i],x[i],boxlo,h_inv);
		for (i = 0; i < nlocal; i++)