Merge branch 'small' into integration (4051aedf) · Commits · 郑智淋 / lammps

doc/README.md

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		@@ -14,8 +14,8 @@ make clean-all # remove entire build folder and any cached data

		## Installing prerequisites

		To run the documention build toolchain Python 3 and virtualenv have to be
		installed. Here are instructions for common setups:
		To run the documention build toolchain, Python 3 and virtualenv have
		to be installed. Here are instructions for common setups:

		### Ubuntu

		@@ -23,10 +23,16 @@ installed. Here are instructions for common setups:
		sudo apt-get install python-virtualenv
		```

		### Fedora
		### Fedora (up to version 21), Red Hat Enterprise Linux or CentOS (up to version 7.x)

		```bash
		sudo yum install python3-virtualenv
		```
		sudo yum install python-virtualenv

		### Fedora (since version 22)

		```bash
		sudo dnf install python3-virtualenv
		```

		### MacOS X

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		@@ -64,7 +64,7 @@ command, for example:

		compute cc1 all chunk/atom molecule
		compute myChunk all omega/chunk cc1
		fix 1 all ave/time 100 1 100 c_myChunk file tmp.out mode vector :pre
		fix 1 all ave/time 100 1 100 c_myChunk[*] file tmp.out mode vector :pre

		[Output info:]

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		@@ -438,9 +438,17 @@ c use precomputed values
		rho0_2 = rho0_meam(b)Z2G2
		endif
		Gam1 = (t11avrho11+t21avrho21+t31av*rho31)
		if (rho01 < 1.0d-14) then
		Gam1 = 0.0d0
		else
		Gam1 = Gam1/(rho01*rho01)
		endif
		Gam2 = (t12avrho12+t22avrho22+t32av*rho32)
		if (rho02 < 1.0d-14) then
		Gam2 = 0.0d0
		else
		Gam2 = Gam2/(rho02*rho02)
		endif
		call G_gam(Gam1,ibar_meam(a),gsmooth_factor,G1,errorflag)
		call G_gam(Gam2,ibar_meam(b),gsmooth_factor,G2,errorflag)
		if (mix_ref_t.eq.1) then

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		@@ -37,8 +37,6 @@ class ComputeBodyLocal : public Compute {
		int which,index;

		int nmax;
		double *vector;
		double **array;

		class AtomVecBody *avec;
		class Body *bptr;

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		@@ -41,8 +41,6 @@ class ComputeRigidLocal : public Compute {
		class FixRigidSmall *fixrigid;

		int nmax;
		double *vector;
		double **array;

		int compute_rigid(int);
		void reallocate(int);