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
