import ctypes import sys sys.setdlopenflags((sys.getdlopenflags() | ctypes.RTLD_GLOBAL )) import espresso as es import numpy import code_info print " " print "=======================================================" print "= lj_liquid.py =" print "=======================================================" print " " print "Program Information: \n%s\n" % code_info.electrostatics_defined() dev="cpu" # System parameters ############################################################# # 10 000 Particles box_l = 10.7437 density = 0.7 # Interaction parameters (repulsive Lennard Jones) ############################################################# lj_eps = 1.0 lj_sig = 1.0
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program. If not, see <http://www.gnu.org/licenses/>. # from __future__ import print_function import ctypes import sys sys.setdlopenflags((sys.getdlopenflags() | ctypes.RTLD_GLOBAL )) import espresso as es import numpy import code_info print(code_info.electrostatics_defined()) es._espressoHandle.Tcl_Eval("thermostat lb 1.") dev="cpu" N=100 es.glob.time_step=0.01 es.glob.skin=1. es.glob.box_l=[10., 10., 10.] #print es.cu.device_list #es.cu.device=0 es.lbfluid[dev].agrid=1 es.lbfluid[dev].dens=1 es.lbfluid[dev].visc=1 es.lbfluid[dev].friction=1 es.lbfluid[dev].tau=0.1
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU General Public License for more details. # # You should have received a copy of the GNU General Public License # along with this program. If not, see <http://www.gnu.org/licenses/>. # from __future__ import print_function import ctypes import sys sys.setdlopenflags((sys.getdlopenflags() | ctypes.RTLD_GLOBAL)) import espresso as es import numpy import code_info print(code_info.electrostatics_defined()) es._espressoHandle.Tcl_Eval("thermostat lb 1.") dev = "cpu" N = 100 es.glob.time_step = 0.01 es.glob.skin = 1. es.glob.box_l = [10., 10., 10.] #print es.cu.device_list #es.cu.device=0 es.lbfluid[dev].agrid = 1 es.lbfluid[dev].dens = 1 es.lbfluid[dev].visc = 1 es.lbfluid[dev].friction = 1 es.lbfluid[dev].tau = 0.1