コード例 #1
0
ファイル: PLOT-2d.py プロジェクト: Bhattiasif/exciting
dpipng = int(shell_value('DPIPNG',ev_list,300)[0])

#-------------------------------------------------------------------------------

args  = sys.argv[1:]

fname = "VCL2d2D.XML"

if "-file" in args:
    ind = args.index("-file")
    fname = str(args[ind+1]) 

if (str(os.path.exists(current+'/'+fname))=='False'): 
    sys.exit("\n ERROR: Input file "+current+"/"+fname+" not found!\n")
    
rx, ry, basevect, rz = parse_plot2d.parse_plot2d("input.xml", fname)

x = [] ; y = [] ; z = []

xgrid = len(rx)
ygrid = len(rx[1])

#print xgrid, ygrid

for i in range(xgrid):
    x.append(i*1.0/(xgrid-1))
    y.append(i*1.0/(ygrid-1))
    
Y, X = np.meshgrid(x, y)

Z=[]
コード例 #2
0
ファイル: plot_stm.py プロジェクト: vorwerkc/excitingscripts
if "-tile" in args:
    ind = args.index("-tile")
    ti = int(args[ind+1]) 
    tj = int(args[ind+2]) 
else:
    ti = 1
    tj = 1
    
if "-skip" in args:
    ind = args.index("-skip")
    skip = int(args[ind+1]) 
else:
    skip = 1

r, rl, basevect, func = parse_plot2d.parse_plot2d("input.xml", "STM2d2D.XML")

bohrToAng = 0.529177249

ni0 = len(r)
nj0 = len(r[0])
ni = int(round(ti * ni0 / skip))
nj = int(round(tj * nj0 / skip))
x=[]
y=[]
f=[]
for i in range(ni):
    x.append([])
    y.append([])
    f.append([])
    it = np.mod(i*skip,ni0)
コード例 #3
0
ファイル: PLOT-stm.py プロジェクト: Bhattiasif/exciting
        tj = 1
    
    if "-skip" in args:
        ind = args.index("-skip")
        skip = int(args[ind+1]) 
    else:
        skip = 1

    if "-file" in args:
        ind = args.index("-file")
        fname = str(args[ind+1]) 
    else:
        fname = "STM2d.xml"

    print "Plotting %s"%(fname)
    r, rl, basevect, func = parse_plot2d.parse_plot2d("input.xml", fname)

    bohrToAng = 0.529177249

    ni0 = len(r)
    nj0 = len(r[0])
    ni = int(round(ti * ni0 / skip))
    nj = int(round(tj * nj0 / skip))
    x=[]
    y=[]
    f=[]
    for i in range(ni):
        x.append([])
        y.append([])
        f.append([])
        it = np.mod(i*skip,ni0)
コード例 #4
0
        tj = 1

    if "-skip" in args:
        ind = args.index("-skip")
        skip = int(args[ind + 1])
    else:
        skip = 1

    if "-file" in args:
        ind = args.index("-file")
        fname = str(args[ind + 1])
    else:
        fname = "STM2d.xml"

    print "Plotting %s" % (fname)
    r, rl, basevect, func = parse_plot2d.parse_plot2d("input.xml", fname)

    bohrToAng = 0.529177249

    ni0 = len(r)
    nj0 = len(r[0])
    ni = int(round(ti * ni0 / skip))
    nj = int(round(tj * nj0 / skip))
    x = []
    y = []
    f = []
    for i in range(ni):
        x.append([])
        y.append([])
        f.append([])
        it = np.mod(i * skip, ni0)
コード例 #5
0
dpipng = int(shell_value('DPIPNG',ev_list,300)[0])

#-------------------------------------------------------------------------------

args  = sys.argv[1:]

fname = "VCL2d2D.XML"

if "-file" in args:
    ind = args.index("-file")
    fname = str(args[ind+1]) 

if (str(os.path.exists(current+'/'+fname))=='False'): 
    sys.exit("\n ERROR: Input file "+current+"/"+fname+" not found!\n")
    
rx, ry, basevect, rz = parse_plot2d.parse_plot2d("input.xml", fname)

x = [] ; y = [] ; z = []

xgrid = len(rx)
ygrid = len(rx[1])

#print xgrid, ygrid

for i in range(xgrid):
    x.append(i*1.0/(xgrid-1))
    y.append(i*1.0/(ygrid-1))
    
Y, X = np.meshgrid(x, y)

Z=[]