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added some cooments #1

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added some cooments #1

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4 changes: 2 additions & 2 deletions src/dmet.py
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Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
'''

#importing required libraries
import localintegrals
import qcdmethelper
import numpy as np
Expand Down Expand Up @@ -493,7 +493,7 @@ def rdm_differences_derivative( self, newumatflat ):
thesize += self.imp_size[ count ] * self.imp_size[ count ]

gradient = []
for countgr in range( len( newumatflat ) ):
for countgr in range( len( newumatflat ) ): #range will be 0 to one less than newumatflat (stop value),with step value one
error_deriv = np.zeros( [ thesize ], dtype=float )
jump = 0
jumpsquare = 0
Expand Down