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Some adjustments to the Python3 code to account for changes in numpy #3

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Some adjustments to the Python3 code to account for changes in numpy #3

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0abc2af
Adjust some of thg Python code for modern numpy, remove use of old Nu…
MarkoRamius Feb 12, 2026
6116d93
remove __pycache__ files
MarkoRamius Feb 12, 2026
6b949a7
added .gitignore
MarkoRamius Feb 12, 2026
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1 change: 1 addition & 0 deletions .gitignore
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Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
__pycache__
9 changes: 3 additions & 6 deletions src/bdump.py
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Expand Up @@ -68,11 +68,9 @@
# atoms[i][j] = 2d array of floats, i = 0 to natoms-1, j = 0 to ncols-1

try:
import numpy as np
oldnumeric = False
import numpy as np
except:
import Numeric as np
oldnumeric = True
raise Exception("no numpy Python module available")

try: from DEFAULTS import PIZZA_GUNZIP
except: PIZZA_GUNZIP = "gunzip"
Expand Down Expand Up @@ -188,8 +186,7 @@ def read_snapshot(self,f):
for i in range(1,snap.natoms):
words += f.readline().split()
floats = list(map(float,words))
if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float)
else: atoms = np.zeros((snap.natoms,ncol),np.float)
atoms = np.zeros((snap.natoms,ncol),float)
start = 0
stop = ncol
for i in range(snap.natoms):
Expand Down
10 changes: 3 additions & 7 deletions src/dump.py
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Expand Up @@ -191,10 +191,8 @@

try:
import numpy as np
oldnumeric = False
except:
import Numeric as np
oldnumeric = True
raise Exception("no numpy Python module available")

try: from DEFAULTS import PIZZA_GUNZIP
except: PIZZA_GUNZIP = "gunzip"
Expand Down Expand Up @@ -418,8 +416,7 @@ def read_snapshot(self,f):
for i in range(1,snap.natoms):
words += f.readline().split()
floats = list(map(float,words))
if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float)
else: atoms = np.zeros((snap.natoms,ncol),np.float)
atoms = np.zeros((snap.natoms,ncol),float)
start = 0
stop = ncol
for i in range(snap.natoms):
Expand Down Expand Up @@ -887,8 +884,7 @@ def newcolumn(self,str):
self.map(ncol+1,str)
for snap in self.snaps:
atoms = snap.atoms
if oldnumeric: newatoms = np.zeros((snap.natoms,ncol+1),np.Float)
else: newatoms = np.zeros((snap.natoms,ncol+1),np.float)
newatoms = np.zeros((snap.natoms,ncol+1),float)
newatoms[:,0:ncol] = snap.atoms
snap.atoms = newatoms

Expand Down
9 changes: 3 additions & 6 deletions src/ldump.py
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Expand Up @@ -75,11 +75,9 @@
# atoms[i][j] = 2d array of floats, i = 0 to natoms-1, j = 0 to ncols-1

try:
import numpy as np
oldnumeric = False
import numpy as np
except:
import Numeric as np
oldnumeric = True
raise Exception("no numpy Python module available")

try: from DEFAULTS import PIZZA_GUNZIP
except: PIZZA_GUNZIP = "gunzip"
Expand Down Expand Up @@ -202,8 +200,7 @@ def read_snapshot(self,f):
for i in range(1,snap.natoms):
words += f.readline().split()
floats = list(map(float,words))
if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float)
else: atoms = np.zeros((snap.natoms,ncol),np.float)
atoms = np.zeros((snap.natoms,ncol),float)
start = 0
stop = ncol
for i in range(snap.natoms):
Expand Down
9 changes: 3 additions & 6 deletions src/mdump.py
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Expand Up @@ -133,11 +133,9 @@
# evalues[i][j] = 2d array of floats, i = 0 to Nel-1, j = 0 to Ncol

try:
import numpy as np
oldnumeric = False
import numpy as np
except:
import Numeric as np
oldnumeric = True
raise Exception("no numpy Python module available")

try: from DEFAULTS import PIZZA_GUNZIP
except: PIZZA_GUNZIP = "gunzip"
Expand Down Expand Up @@ -318,8 +316,7 @@ def read_snapshot(self,f):
for i in range(1,n):
words += f.readline().split()
floats = list(map(float,words))
if oldnumeric: values = np.zeros((n,ncol),np.Float)
else: values = np.zeros((n,ncol),np.float)
values = np.zeros((n,ncol),float)
start = 0
stop = ncol
for i in range(n):
Expand Down
9 changes: 3 additions & 6 deletions src/tdump.py
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Original file line number Diff line number Diff line change
Expand Up @@ -76,11 +76,9 @@
# atoms[i][j] = 2d array of floats, i = 0 to natoms-1, j = 0 to ncols-1

try:
import numpy as np
oldnumeric = False
import numpy as np
except:
import Numeric as np
oldnumeric = True
raise Exception("no numpy Python module available")

try: from DEFAULTS import PIZZA_GUNZIP
except: PIZZA_GUNZIP = "gunzip"
Expand Down Expand Up @@ -203,8 +201,7 @@ def read_snapshot(self,f):
for i in range(1,snap.natoms):
words += f.readline().split()
floats = list(map(float,words))
if oldnumeric: atoms = np.zeros((snap.natoms,ncol),np.Float)
else: atoms = np.zeros((snap.natoms,ncol),np.float)
atoms = np.zeros((snap.natoms,ncol),float)
start = 0
stop = ncol
for i in range(snap.natoms):
Expand Down
6 changes: 4 additions & 2 deletions src/vtk.py
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Expand Up @@ -346,7 +346,8 @@ def particleGran(file,atoms,names,n_values):
continue

vectortype = 'float'
if atoms != []:
#if atoms != []:
if atoms.size > 0:
vectortype = typestr(atoms[0][vectors[key]])
if 'float' in vectortype: vectortype = 'float'
elif 'int' in vectortype: vectortype = 'int'
Expand All @@ -361,7 +362,8 @@ def particleGran(file,atoms,names,n_values):
# print SCALARS
for key in scalars.keys():
scalartype =''
if atoms != []:
#if atoms != []:
if atoms.size > 0:
scalartype = typestr(atoms[0][scalars[key]])
if 'float' in scalartype: scalartype = 'float'
elif 'int' in scalartype: scalartype = 'int'
Expand Down