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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@253 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-01-29 23:29:58 +00:00
parent a47a87c216
commit 9cdbeaf9f2
3 changed files with 14 additions and 16 deletions
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27
src/Makefile
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@ -43,18 +43,15 @@ makelist:
package: package:
@echo 'Available packages: class2, dpd, granular, kspace' @echo 'Available packages: class2, dpd, granular, kspace'
# @echo ' manybody meam molecule, poems, xtc' @echo ' manybody, meam, molecule, poems, xtc'
@echo ' manybody molecule, poems, xtc'
@echo ' "make yes-name" include a package' @echo ' "make yes-name" include a package'
@echo ' "make no-name" exclude a package' @echo ' "make no-name" exclude a package'
@echo ' "make yes-all" include all packages' @echo ' "make yes-all" include all packages'
@echo ' "make no-all" exclude all packages' @echo ' "make no-all" exclude all packages'
yes-all: 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 \ 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: no-all:
@echo 'Removing files, ignore any rm errors ...' @echo 'Removing files, ignore any rm errors ...'
@ -63,7 +60,7 @@ no-all:
@cd GRANULAR; csh -f Install.csh 0 @cd GRANULAR; csh -f Install.csh 0
@cd KSPACE; csh -f Install.csh 0 @cd KSPACE; csh -f Install.csh 0
@cd MANYBODY; 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 MOLECULE; csh -f Install.csh 0
@cd POEMS; csh -f Install.csh 0 @cd POEMS; csh -f Install.csh 0
@cd XTC; 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 @cd MANYBODY; csh -f Install.csh 0
@make clean @make clean
#yes-meam: yes-meam:
# @cd MEAM; csh -f Install.csh 1 @cd MEAM; csh -f Install.csh 1
#no-meam: no-meam:
# @echo 'Removing files, ignore any rm errors ...' @echo 'Removing files, ignore any rm errors ...'
# @cd MEAM; csh -f Install.csh 0 @cd MEAM; csh -f Install.csh 0
# @make clean @make clean
yes-molecule: yes-molecule:
@cd MOLECULE; csh -f Install.csh 1 @cd MOLECULE; csh -f Install.csh 1
@ -140,7 +137,7 @@ package-update:
@csh -f Package.csh GRANULAR update @csh -f Package.csh GRANULAR update
@csh -f Package.csh KSPACE update @csh -f Package.csh KSPACE update
@csh -f Package.csh MANYBODY 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 MOLECULE update
@csh -f Package.csh POEMS update @csh -f Package.csh POEMS update
@csh -f Package.csh XTC update @csh -f Package.csh XTC update
@ -153,7 +150,7 @@ package-overwrite:
@csh -f Package.csh GRANULAR overwrite @csh -f Package.csh GRANULAR overwrite
@csh -f Package.csh KSPACE overwrite @csh -f Package.csh KSPACE overwrite
@csh -f Package.csh MANYBODY 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 MOLECULE overwrite
@csh -f Package.csh POEMS overwrite @csh -f Package.csh POEMS overwrite
@csh -f Package.csh XTC overwrite @csh -f Package.csh XTC overwrite
@ -166,7 +163,7 @@ package-check:
@csh -f Package.csh GRANULAR check @csh -f Package.csh GRANULAR check
@csh -f Package.csh KSPACE check @csh -f Package.csh KSPACE check
@csh -f Package.csh MANYBODY 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 MOLECULE check
@csh -f Package.csh POEMS check @csh -f Package.csh POEMS check
@csh -f Package.csh XTC check @csh -f Package.csh XTC check

2
src/atom.cpp
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@ -1813,7 +1813,7 @@ int Atom::memory_usage()
if (charge_allow) bytes += 1 * nmax * sizeof(double); // q if (charge_allow) bytes += 1 * nmax * sizeof(double); // q
if (mass_allow) bytes += 1 * nmax * sizeof(double); // rmass if (mass_allow) bytes += 1 * nmax * sizeof(double); // rmass
if (style_dipole) bytes += 3 * nmax*3 * sizeof(double); // mu if (style_dipole) bytes += 3 * nmax*3 * sizeof(double); // mu,omega,torque
if (style_granular) { if (style_granular) {
bytes += 3 * nmax*3 * sizeof(double); // phix,phiv,phia bytes += 3 * nmax*3 * sizeof(double); // phix,phiv,phia
bytes += 2 * nmax * sizeof(double); // radius,density bytes += 2 * nmax * sizeof(double); // radius,density

1
src/style.h
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@ -286,6 +286,7 @@ TempStyle(region,TempRegion)
#include "style_granular.h" #include "style_granular.h"
#include "style_kspace.h" #include "style_kspace.h"
#include "style_manybody.h" #include "style_manybody.h"
#include "style_meam.h"
#include "style_molecule.h" #include "style_molecule.h"
#include "style_poems.h" #include "style_poems.h"
#include "style_xtc.h" #include "style_xtc.h"