Merge pull request #611 from akohlmey/final-tweaks (f68c6254) · Commits · 郑智淋 / lammps

doc/src/Section_start.txt

+11 −3

Original line number	Diff line number	Diff line
		@@ -587,8 +587,7 @@ Typing "make clean-all" or "make clean-machine" will delete *.o object
		files created when LAMMPS is built, for either all builds or for a
		particular machine.

		Changing the LAMMPS size limits via -DLAMMPS_SMALLBIG or
		-DLAMMPS_BIGBIG or -DLAMMPS_SMALLSMALL :h6
		Changing the LAMMPS size limits via -DLAMMPS_SMALLBIG or -DLAMMPS_BIGBIG or -DLAMMPS_SMALLSMALL :h6

		As explained above, any of these 3 settings can be specified on the
		LMP_INC line in your low-level src/MAKE/Makefile.foo.
		@@ -659,7 +658,16 @@ utilities.
		For Cygwin and the MinGW cross-compilers, suitable makefiles are
		provided in src/MAKE/MACHINES. When using other compilers, like
		Visual C++ or Intel compilers for Windows, you may have to implement
		your own build system. Since none of the current LAMMPS core developers
		your own build system. Due to differences between the Windows OS
		and Windows system libraries to Unix-like environments like Linux
		or MacOS, when compiling for Windows a few adjustments may be needed:

		Do not set the -DLAMMPS_MEMALIGN define (see LMP_INC makefile variable)
		Add -lwsock32 -lpsapi to the linker flags (see LIB makefile variable)
		Try adding -static-libgcc or -static or both to the linker flags when your
		LAMMPS executable complains about missing .dll files :ul

		Since none of the current LAMMPS core developers
		has significant experience building executables on Windows, we are
		happy to distribute contributed instructions and modifications, but
		we cannot provide support for those.

lib/kim/Install.py

+22 −1

Original line number	Diff line number	Diff line
		@@ -60,8 +60,29 @@ def error(str=None):
		def fullpath(path):
		return os.path.abspath(os.path.expanduser(path))

		def which(program):
		def is_exe(fpath):
		return os.path.isfile(fpath) and os.access(fpath, os.X_OK)

		fpath, fname = os.path.split(program)
		if fpath:
		if is_exe(program):
		return program
		else:
		for path in os.environ["PATH"].split(os.pathsep):
		path = path.strip('"')
		exe_file = os.path.join(path, program)
		if is_exe(exe_file):
		return exe_file

		return None

		def geturl(url,fname):
		if which('curl') != None:
		cmd = 'curl -L -o "%s" %s' % (fname,url)
		elif which('wget') != None:
		cmd = 'wget -O "%s" %s' % (fname,url)
		else: error("cannot find 'wget' or 'curl' to download source code")
		txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
		return txt

lib/mscg/Install.py

+22 −1

Original line number	Diff line number	Diff line
		@@ -47,8 +47,29 @@ def error(str=None):
		def fullpath(path):
		return os.path.abspath(os.path.expanduser(path))

		def which(program):
		def is_exe(fpath):
		return os.path.isfile(fpath) and os.access(fpath, os.X_OK)

		fpath, fname = os.path.split(program)
		if fpath:
		if is_exe(program):
		return program
		else:
		for path in os.environ["PATH"].split(os.pathsep):
		path = path.strip('"')
		exe_file = os.path.join(path, program)
		if is_exe(exe_file):
		return exe_file

		return None

		def geturl(url,fname):
		if which('curl') != None:
		cmd = 'curl -L -o "%s" %s' % (fname,url)
		elif which('wget') != None:
		cmd = 'wget -O "%s" %s' % (fname,url)
		else: error("cannot find 'wget' or 'curl' to download source code")
		txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
		return txt

lib/poems/poemsobject.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -21,7 +21,7 @@

		POEMSObject::POEMSObject(){
		name = 0;
		ChangeName("unnamed");
		ChangeName((const char*)"unnamed");
		ID = -1;
		}

		@@ -29,7 +29,7 @@ POEMSObject::~POEMSObject(){
		delete [] name;
		}

		void POEMSObject::ChangeName(char* newname){
		void POEMSObject::ChangeName(const char* newname){
		delete [] name;
		name = new char[strlen(newname)+1];
		strcpy(name,newname);

lib/poems/poemsobject.h

+1 −1

Original line number	Diff line number	Diff line
		@@ -26,7 +26,7 @@ class POEMSObject {
		public:
		POEMSObject();
		virtual ~POEMSObject();
		void ChangeName(char* newname);
		void ChangeName(const char* newname);
		char* GetName();
		int GetID();
		void SetID(int id);

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