*** empty log message ***

2005-02-18 22:08:15 +00:00
parent 02a868e8aa
commit 6f42b9bb18
15 changed files with 195 additions and 208 deletions
--- a/diis.h
+++ b/diis.h
@@ -1,4 +1,4 @@
-//DIIS convergence acceleration
+//DIIS convergence acceleration according to Pulay: Chem. Phys. Lett. 73, 393 (1980); J. Comp. Chem. 3,556 (1982)
 #ifndef _DIIS_H_
 #define _DIIS_H_
 #include "vec.h"