From 89b7a95a8b642f858eedec667897cb7bb071f1fa Mon Sep 17 00:00:00 2001
From: "Oleg E. Peil" <Oleg.Peil@unige.ch>
Date: Wed, 14 Oct 2015 17:44:01 +0200
Subject: [PATCH] Renamed 'params' to 'proj_params' in class Plocar

---
 python/vasp/elstruct.py |  2 +-
 python/vasp/vaspio.py   | 22 ++++++++++++----------
 2 files changed, 13 insertions(+), 11 deletions(-)

diff --git a/python/vasp/elstruct.py b/python/vasp/elstruct.py
index 4fd7480d..80969dcc 100644
--- a/python/vasp/elstruct.py
+++ b/python/vasp/elstruct.py
@@ -56,7 +56,7 @@ class ElectronicStructure:
 # For later use it is more convenient to use a different order of indices
 # [see ProjectorGroup.orthogonalization()]
         self.proj_raw = vasp_data.plocar.plo
-        self.proj_params = vasp_data.plocar.params
+        self.proj_params = vasp_data.plocar.proj_params
 
         self.ferw = vasp_data.eigenval.ferw
 
diff --git a/python/vasp/vaspio.py b/python/vasp/vaspio.py
index 2241aca1..efdfac75 100644
--- a/python/vasp/vaspio.py
+++ b/python/vasp/vaspio.py
@@ -79,7 +79,7 @@ class Plocar:
             vasp_dir += '/'
 
 #        self.params, self.plo, self.ferw = c_plocar_io.read_plocar(vasp_dir + plocar_filename)
-        self.params, self.plo = self.temp_parser(projcar_filename=vasp_dir + "PROJCAR", locproj_filename=vasp_dir + "LOCPROJ")
+        self.proj_params, self.plo = self.temp_parser(projcar_filename=vasp_dir + "PROJCAR", locproj_filename=vasp_dir + "LOCPROJ")
 
     def temp_parser(self, projcar_filename='PROJCAR', locproj_filename='LOCPROJ'):
         r"""
@@ -105,7 +105,7 @@ class Plocar:
             nproj, nspin, nk, nband = map(int, line.split())
 
         plo = np.zeros((nproj, nspin, nk, nband), dtype=np.complex128)
-        params = [{} for i in xrange(nproj)]
+        proj_params = [{} for i in xrange(nproj)]
 
         iproj_site = 0
         is_first_read = True
@@ -115,9 +115,11 @@ class Plocar:
                 isite = int(line.split()[1])
                 if not is_first_read:
                     for il in xrange(norb):
-                        params[iproj_site * norb + il]['isite'] = isite
-                        params[iproj_site * norb + il]['l'] = params[(iproj_site - 1) * norb + il]['l']
-                        params[iproj_site * norb + il]['m'] = params[(iproj_site - 1) * norb + il]['m']
+                        ip_new = iproj_site * norb + il
+                        ip_prev = (iproj_site - 1) * norb + il
+                        proj_params[ip_new]['isite'] = isite
+                        proj_params[ip_new]['l'] = proj_params[ip_prev]['l']
+                        proj_params[ip_new]['m'] = proj_params[ip_prev]['m']
 
                 for ispin in xrange(nspin):
                     for ik in xrange(nk):
@@ -132,9 +134,9 @@ class Plocar:
                                 l, m = lm_to_l_m(lm)
 
 # For the first read 'iproj_site = 0' and only orbital index 'il' is used
-                                params[il]['isite'] = isite
-                                params[il]['l'] = l
-                                params[il]['m'] = m
+                                proj_params[il]['isite'] = isite
+                                proj_params[il]['l'] = l
+                                proj_params[il]['m'] = m
 
                             is_first_read = False
 
@@ -151,10 +153,10 @@ class Plocar:
                 line = self.search_for(f, "^ *ISITE")
 
         print "Read parameters:"
-        for il, par in enumerate(params):
+        for il, par in enumerate(proj_params):
             print il, " -> ", par
 
-        return params, plo
+        return proj_params, plo
 
 
     def search_for(self, f, patt):