} with open('../example_grand_canonical/metropolis_grand_canonical.json', 'r') as f: input = json.load(f) cwd = os.getcwd() proj = Project() index = 0 for xi in np.arange(-3., 0., 0.1): path = 'path.' + str(index) tinput = copy.deepcopy(input) tinput['driver'] = d tinput['driver']['initial_conditions']['param_chem_pot']['a'] = xi tinput['driver']['final_conditions']['param_chem_pot']['a'] = xi os.mkdir(path) os.chdir(path) with open('input.json', 'w') as f: json.dump(tinput, f) stdout, stderr, returncode = proj.command('monte -s input.json') print stdout os.chdir(cwd) index += 1
input = json.load(f) cwd = os.getcwd() proj = Project() index = 0 for xi in np.arange(-3.,0.,0.1): path = 'path.' + str(index) tinput = copy.deepcopy(input) tinput['driver'] = d tinput['driver']['initial_conditions']['param_chem_pot']['a'] = xi tinput['driver']['final_conditions']['param_chem_pot']['a'] = xi os.mkdir(path) os.chdir(path) with open('input.json','w') as f: json.dump(tinput, f) stdout, stderr, returncode = proj.command('monte -s input.json') print stdout os.chdir(cwd) index += 1
def monte_cmd(input): global proj if proj is None: proj = Project() stdout, stderr, returncode = proj.command('monte -s input.json') print stdout