fix enforce2d has to be defined after fixes with enforce2d_flag set (69d97fa6) · Commits · 郑智淋 / lammps

this check currently only applies to rigid fixes and is needed so that their respective enforce2d function is called _after_ the post force functions. this is required in combination with commit to allow rigid fixes use the langevin option correctly for 2d systems

src/fix_enforce2d.cpp

+11 −2

Original line number	Diff line number	Diff line
		@@ -66,12 +66,21 @@ void FixEnforce2D::init()
		if (modify->fix[i]->enforce2d_flag) nfixlist++;

		if (nfixlist) {
		int myindex = -1;
		delete [] flist;
		flist = new Fix*[nfixlist];
		nfixlist = 0;
		for (int i = 0; i < modify->nfix; i++) {
		if (modify->fix[i]->enforce2d_flag)
		if (modify->fix[i]->enforce2d_flag) {
		if (myindex < 0)
		flist[nfixlist++] = modify->fix[i];
		else {
		char msg[256];
		sprintf(msg,"Fix enforce2d must be defined after fix %s",modify->fix[i]->style);
		error->all(FLERR,msg);
		}
		}
		if (modify->fix[i] == this) myindex = i;
		}
		}
		}

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