fix compilation, move meam_cleanup to destructor (3d066283) · Commits · 郑智淋 / lammps

src/USER-MEAMC/meam.h

+2 −1

Original line number	Diff line number	Diff line
		@@ -157,7 +157,6 @@ public:
		int* firstneigh, int* numneigh_full, int* firstneigh_full,
		int fnoffset, double f, double vatom,
		int* errorflag);
		void meam_cleanup();
		};

		// Functions we need for compat
		@@ -190,4 +189,6 @@ Fortran Array Semantics in C.
		#define arr1v(ptr, i) ptr[i - 1]
		#define arr2v(ptr, i, j) ptr[j - 1][i - 1]


		};
		#endif

deleted100644 → 0

+0 −17

+28 −21

Original line number	Diff line number	Diff line
		@@ -35,30 +35,37 @@ MEAM::MEAM(Memory *mem) : memory(mem)

		MEAM::~MEAM()
		{
		meam_cleanup();
		memory->destroy(this->phirar6);
		memory->destroy(this->phirar5);
		memory->destroy(this->phirar4);
		memory->destroy(this->phirar3);
		memory->destroy(this->phirar2);
		memory->destroy(this->phirar1);
		memory->destroy(this->phirar);
		memory->destroy(this->phir);

		memory->destroy(rho);
		memory->destroy(rho0);
		memory->destroy(rho1);
		memory->destroy(rho2);
		memory->destroy(rho3);
		memory->destroy(frhop);
		memory->destroy(gamma);
		memory->destroy(dgamma1);
		memory->destroy(dgamma2);
		memory->destroy(dgamma3);
		memory->destroy(arho2b);
		memory->destroy(this->rho);
		memory->destroy(this->rho0);
		memory->destroy(this->rho1);
		memory->destroy(this->rho2);
		memory->destroy(this->rho3);
		memory->destroy(this->frhop);
		memory->destroy(this->gamma);
		memory->destroy(this->dgamma1);
		memory->destroy(this->dgamma2);
		memory->destroy(this->dgamma3);
		memory->destroy(this->arho2b);

		memory->destroy(arho1);
		memory->destroy(arho2);
		memory->destroy(arho3);
		memory->destroy(arho3b);
		memory->destroy(t_ave);
		memory->destroy(tsq_ave);
		memory->destroy(this->arho1);
		memory->destroy(this->arho2);
		memory->destroy(this->arho3);
		memory->destroy(this->arho3b);
		memory->destroy(this->t_ave);
		memory->destroy(this->tsq_ave);

		memory->destroy(scrfcn);
		memory->destroy(dscrfcn);
		memory->destroy(fcpair);
		memory->destroy(this->scrfcn);
		memory->destroy(this->dscrfcn);
		memory->destroy(this->fcpair);
		}

+1 −1

File changed.

Contains only whitespace changes.