(9cdbeaf9) · Commits · 郑智淋 / lammps

src/Makefile

+12 −15

Original line number	Diff line number	Diff line
		@@ -43,18 +43,15 @@ makelist:

		package:
		@echo 'Available packages: class2, dpd, granular, kspace'
		# @echo ' manybody meam molecule, poems, xtc'
		@echo ' manybody molecule, poems, xtc'
		@echo ' manybody, meam, molecule, poems, xtc'
		@echo ' "make yes-name" include a package'
		@echo ' "make no-name" exclude a package'
		@echo ' "make yes-all" include all packages'
		@echo ' "make no-all" exclude all packages'

		yes-all:
		# make yes-class2 yes-dpd yes-granular yes-kspace \
		# yes-manybody yes-meam yes-molecule yes-poems yes-xtc
		make yes-class2 yes-dpd yes-granular yes-kspace \
		yes-manybody yes-molecule yes-poems yes-xtc
		yes-manybody yes-meam yes-molecule yes-poems yes-xtc

		no-all:
		@echo 'Removing files, ignore any rm errors ...'
		@@ -63,7 +60,7 @@ no-all:
		@cd GRANULAR; csh -f Install.csh 0
		@cd KSPACE; csh -f Install.csh 0
		@cd MANYBODY; csh -f Install.csh 0
		# @cd MEAM; csh -f Install.csh 0
		@cd MEAM; csh -f Install.csh 0
		@cd MOLECULE; csh -f Install.csh 0
		@cd POEMS; csh -f Install.csh 0
		@cd XTC; csh -f Install.csh 0
		@@ -104,12 +101,12 @@ no-manybody:
		@cd MANYBODY; csh -f Install.csh 0
		@make clean

		#yes-meam:
		# @cd MEAM; csh -f Install.csh 1
		#no-meam:
		# @echo 'Removing files, ignore any rm errors ...'
		# @cd MEAM; csh -f Install.csh 0
		# @make clean
		yes-meam:
		@cd MEAM; csh -f Install.csh 1
		no-meam:
		@echo 'Removing files, ignore any rm errors ...'
		@cd MEAM; csh -f Install.csh 0
		@make clean

		yes-molecule:
		@cd MOLECULE; csh -f Install.csh 1
		@@ -140,7 +137,7 @@ package-update:
		@csh -f Package.csh GRANULAR update
		@csh -f Package.csh KSPACE update
		@csh -f Package.csh MANYBODY update
		# @csh -f Package.csh MEAM update
		@csh -f Package.csh MEAM update
		@csh -f Package.csh MOLECULE update
		@csh -f Package.csh POEMS update
		@csh -f Package.csh XTC update
		@@ -153,7 +150,7 @@ package-overwrite:
		@csh -f Package.csh GRANULAR overwrite
		@csh -f Package.csh KSPACE overwrite
		@csh -f Package.csh MANYBODY overwrite
		# @csh -f Package.csh MEAM overwrite
		@csh -f Package.csh MEAM overwrite
		@csh -f Package.csh MOLECULE overwrite
		@csh -f Package.csh POEMS overwrite
		@csh -f Package.csh XTC overwrite
		@@ -166,7 +163,7 @@ package-check:
		@csh -f Package.csh GRANULAR check
		@csh -f Package.csh KSPACE check
		@csh -f Package.csh MANYBODY check
		# @csh -f Package.csh MEAM check
		@csh -f Package.csh MEAM check
		@csh -f Package.csh MOLECULE check
		@csh -f Package.csh POEMS check
		@csh -f Package.csh XTC check

src/atom.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -1813,7 +1813,7 @@ int Atom::memory_usage()

		if (charge_allow) bytes += 1 * nmax * sizeof(double); // q
		if (mass_allow) bytes += 1 * nmax * sizeof(double); // rmass
		if (style_dipole) bytes += 3 * nmax3 sizeof(double); // mu
		if (style_dipole) bytes += 3 * nmax3 sizeof(double); // mu,omega,torque
		if (style_granular) {
		bytes += 3 * nmax3 sizeof(double); // phix,phiv,phia
		bytes += 2 * nmax * sizeof(double); // radius,density

src/style.h

+1 −0

Original line number	Diff line number	Diff line
		@@ -286,6 +286,7 @@ TempStyle(region,TempRegion)
		#include "style_granular.h"
		#include "style_kspace.h"
		#include "style_manybody.h"
		#include "style_meam.h"
		#include "style_molecule.h"
		#include "style_poems.h"
		#include "style_xtc.h"

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