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jiri 2007-08-19 21:41:50 +00:00
parent 43cc687518
commit ebedb9eecc
1 changed files with 1 additions and 1 deletions
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diis.h
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@ -31,7 +31,7 @@ class DIIS
T *stor; T *stor;
U *errstor; U *errstor;
public: public:
DIIS() {dim=0; st=NULL; stor=NULL;}; //for array of diis DIIS() {dim=0; st=NULL; stor=NULL; errst=NULL; errstor=NULL;}; //for array of diis
DIIS(const int n, const bool core=1); DIIS(const int n, const bool core=1);
void setup(const int n, const bool core=1); void setup(const int n, const bool core=1);
~DIIS(); ~DIIS();