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Added shell info to filename for spaghetti.

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Priyanka Seth 2015-11-30 17:19:04 +01:00
parent 8cd2a73ae2
commit cff294e1b2
1 changed files with 1 additions and 1 deletions
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python/sumk_dft_tools.py
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@ -394,7 +394,7 @@ class SumkDFTTools(SumkDFT):
else: # ishell is not None else: # ishell is not None
for sp in spn: for sp in spn:
for ish in range(self.shells[ishell]['dim']): for ish in range(self.shells[ishell]['dim']):
f = open(save_to_file+sp+'_proj'+str(ish)+'.dat','w') # Open file for storage: f = open(save_to_file+str(ishell)+'_'+sp+'_proj'+str(ish)+'.dat','w') # Open file for storage:
for ik in range(self.n_k): for ik in range(self.n_k):
for iom in range(n_om): for iom in range(n_om):
if (mesh[iom] > om_minplot) and (mesh[iom] < om_maxplot): if (mesh[iom] > om_minplot) and (mesh[iom] < om_maxplot):