remove MEAM and REAX from lib folder (8b5887bf) · Commits · 郑智淋 / lammps

lib/README

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		@@ -33,8 +33,6 @@ kokkos Kokkos package for GPU and many-core acceleration
		from Kokkos development team (Sandia)
		linalg set of BLAS and LAPACK routines needed by USER-ATC package
		from Axel Kohlmeyer (Temple U)
		meam modified embedded atom method (MEAM) potential, MEAM package
		from Greg Wagner (Sandia)
		message client/server communication library via MPI, sockets, files
		from Steve Plimpton (Sandia)
		molfile hooks to VMD molfile plugins, used by the USER-MOLFILE package
		@@ -51,8 +49,6 @@ qmmm quantum mechanics/molecular mechanics coupling interface
		from Axel Kohlmeyer (Temple U)
		quip interface to QUIP/libAtoms framework, USER-QUIP package
		from Albert Bartok-Partay and Gabor Csanyi (U Cambridge)
		reax ReaxFF potential, REAX package
		from Adri van Duin (Penn State) and Aidan Thompson (Sandia)
		smd hooks to Eigen library, used by USER-SMD package
		from Georg Ganzenmueller (Ernst Mach Institute, Germany)
		voronoi hooks to the Voro++ library, used by compute voronoi/atom command

deleted100644 → 0

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		# dependencies. needed for parallel make
		$(DIR)meam_data.o: meam_data.F
		$(DIR)meam_cleanup.o: meam_cleanup.F $(DIR)meam_data.o
		$(DIR)meam_dens_final.o: meam_dens_final.F $(DIR)meam_data.o
		$(DIR)meam_dens_init.o: meam_dens_init.F $(DIR)meam_data.o
		$(DIR)meam_force.o: meam_force.F $(DIR)meam_data.o
		$(DIR)meam_setup_done.o: meam_setup_done.F $(DIR)meam_data.o
		$(DIR)meam_setup_global.o: meam_setup_global.F $(DIR)meam_data.o
		$(DIR)meam_setup_param.o: meam_setup_param.F $(DIR)meam_data.o

deleted100644 → 0

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		*.mod

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		../Install.py
		No newline at end of file

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		# *
		# _________________________________________________________________________
		# * MEAM: MODEFIED EMBEDDED ATOM METHOD *
		# * DESCRIPTION: SEE READ-ME *
		# * FILE NAME: Makefile *
		# * AUTHORS: Greg Wagner, Sandia National Laboratories *
		# * CONTACT: gjwagne@sandia.gov *
		# _________________________________________________________________________/

		SHELL = /bin/sh

		# which file will be copied to Makefile.lammps

		EXTRAMAKE = Makefile.lammps.gfortran

		# ------ FILES ------

		SRC = meam_data.F meam_setup_done.F meam_setup_global.F meam_setup_param.F meam_dens_init.F meam_dens_final.F meam_force.F meam_cleanup.F

		FILES = $(SRC) Makefile

		# ------ DEFINITIONS ------

		LIB = libmeam.a
		OBJ = $(SRC:.F=.o) fm_exp.o

		# ------ SETTINGS ------

		F90 = g95
		F90FLAGS = -O -fPIC
		ARCHIVE = ar
		ARCHFLAG = -rc
		USRLIB =
		SYSLIB =

		# ------ MAKE PROCEDURE ------

		lib: $(OBJ)
		$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
		@cp $(EXTRAMAKE) Makefile.lammps

		# ------ COMPILE RULES ------

		%.o:%.F
		$(F90) $(F90FLAGS) -c $<

		%.o:%.c
		$(CC) $(F90FLAGS) -c $<

		include .depend
		# ------ CLEAN ------

		clean:
		-rm .o .mod *~ $(LIB)

		tar:
		-tar -cvf ../MEAM.tar $(FILES)