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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
diff -up GaussSum-2.2.0/gausssum/aboutbox.py.cclib GaussSum-2.2.0/gausssum/aboutbox.py
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
--- GaussSum-2.2.0/gausssum/aboutbox.py.cclib 2009-11-03 16:32:25.000000000 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
+++ GaussSum-2.2.0/gausssum/aboutbox.py 2009-12-27 12:11:08.843768337 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
@@ -21,7 +21,7 @@ import traceback
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import copy # For deepcopy...until I find a better way of doing this
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import ConfigParser # For writing the settings to an .ini file
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
-from gausssum.cclib.parser import ADF, GAMESS, Gaussian
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
+from cclib.parser import ADF, GAMESS, Gaussian
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import os, sys
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
if hasattr(sys, "frozen"): # i.e. if using py2exe
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
installlocation = os.path.dirname(sys.executable)
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
diff -up GaussSum-2.2.0/gausssum/electrontrans.py.cclib GaussSum-2.2.0/gausssum/electrontrans.py
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
--- GaussSum-2.2.0/gausssum/electrontrans.py.cclib 2009-11-03 16:32:25.000000000 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
+++ GaussSum-2.2.0/gausssum/electrontrans.py 2009-12-27 12:11:31.276593400 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
@@ -20,7 +20,7 @@ import numpy
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
import glob
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
from gausssum.utils import GaussianSpectrum, levelname, percent
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
-from gausssum.cclib.parser.utils import convertor
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
+from cclib.parser.utils import convertor
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
from Tkinter import *
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
from gnupy import Gnuplot
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
diff -up GaussSum-2.2.0/gausssum/gausssumgui.py.cclib GaussSum-2.2.0/gausssum/gausssumgui.py
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
--- GaussSum-2.2.0/gausssum/gausssumgui.py.cclib 2009-11-03 16:32:25.000000000 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
+++ GaussSum-2.2.0/gausssum/gausssumgui.py 2009-12-27 12:11:43.180622318 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
@@ -23,7 +23,7 @@ import ConfigParser # For writing th
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import logging
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
import glob
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
-from gausssum.cclib.parser import ADF, GAMESS, Gaussian, ccopen
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
+from cclib.parser import ADF, GAMESS, Gaussian, ccopen
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
from gausssum.preferencesbox import PreferencesPopupBox
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
from gausssum.aboutbox import AboutPopupBox
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
from gausssum.popanalysis import Popanalysis
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
diff -up GaussSum-2.2.0/gausssum/preferencesbox.py.cclib GaussSum-2.2.0/gausssum/preferencesbox.py
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
--- GaussSum-2.2.0/gausssum/preferencesbox.py.cclib 2009-11-03 16:32:25.000000000 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
+++ GaussSum-2.2.0/gausssum/preferencesbox.py 2009-12-27 12:11:08.845768136 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
@@ -21,7 +21,7 @@ import traceback
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import copy # For deepcopy...until I find a better way of doing this
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import ConfigParser # For writing the settings to an .ini file
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
-from gausssum.cclib.parser import ADF, GAMESS, Gaussian
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
+from cclib.parser import ADF, GAMESS, Gaussian
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
from gausssum.plot import DisplayPlot
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
from gausssum.gnupy import Gnuplot
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
diff -up GaussSum-2.2.0/gausssum/utils.py.cclib GaussSum-2.2.0/gausssum/utils.py
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
--- GaussSum-2.2.0/gausssum/utils.py.cclib 2009-11-03 16:32:25.000000000 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
31c0426 |
+++ GaussSum-2.2.0/gausssum/utils.py 2009-12-27 12:11:08.846757866 +0200
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
@@ -21,7 +21,7 @@ import traceback
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import copy # For deepcopy...until I find a better way of doing this
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import ConfigParser # For writing the settings to an .ini file
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
-from gausssum.cclib.parser.utils import PeriodicTable
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
+from cclib.parser.utils import PeriodicTable
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
# from cclib.parser.utils import PeriodicTable
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
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![](https://seccdn.libravatar.org/avatar/c3146cfaedb3bd46599061ec3ad03f0d0c9bf214ff170d5f0fa43a33b2de8476?s=16&d=retro) |
15d28ae |
import numpy
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