Changeset 4917ddd

Timestamp:

Sep 11, 2008, 1:25:47 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

fdbf0c

Parents:

55ebd0

Message:

config::DoWannier implemented that is parsed from config file, default is 0

Location:

molecuilder/src

Files:

• config.cpp (modified) (2 diffs)
• molecules.hpp (modified) (1 diff)

molecuilder/src/config.cpp

@@ -34 +34 @@
   DoPerturbation=0;
   DoFullCurrent=0;
+  DoWannier=0;
   CommonWannier=0;
   SawtoothStart=0.01;
@@ -497 +498 @@
   if (config::UseAddGramSch < 0) config::UseAddGramSch = 0;
   if (config::UseAddGramSch > 2) config::UseAddGramSch = 2;
+  if(!ParseForParameter(verbose,file,"DoWannier", 0, 1, 1, int_type, &(config::DoWannier), 1, optional)) {
+    config::DoWannier = 0;
+  } else {
+    if (config::DoWannier < 0) config::DoWannier = 0;
+    if (config::DoWannier > 1) config::DoWannier = 1;
+  }
   if(!ParseForParameter(verbose,file,"CommonWannier", 0, 1, 1, int_type, &(config::CommonWannier), 1, optional)) {
     config::CommonWannier = 0;

molecuilder/src/molecules.hpp

@@ -398 +398 @@
     int DoFullCurrent;
     int DoPerturbation;
+    int DoWannier;
     int CommonWannier;
     double SawtoothStart;