提交: 541606b4c882cc4b28883e733db9c67f4f68e41b - MolDS (git)

Commit MetaInfo

• 修訂: 541606b4c882cc4b28883e733db9c67f4f68e41b (tree)
• 時間: 2012-11-13 17:45:33
• 作者: Mikiya Fujii <mikiya.fujii@gmai...>
• Commiter: Mikiya Fujii

Log Message

README is updated. #28791

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/trunk@1115 1136aad2-a195-0410-b898-f5ea1d11b9d8

Change Summary

• modified: doc/README.txt

差異

--- a/doc/README.txt
+++ b/doc/README.txt
@@ -574,7 +574,8 @@ HOW TO WRITE INPUT:
          NASCO_END
   
       -options
-       "total_steps", "num_electronic_states", "seed", and "dt" are prepared as options.
+       "total_steps", "num_electronic_states", "initial_electronic_state", "seed", 
+       and "dt" are prepared as options.
 
        The default value of the "total_steps" is 10. 
 
@@ -584,6 +585,13 @@ HOW TO WRITE INPUT:
        The default value of the "num_electronic_states" is 3, 
        that is, ground, 1st, and 2nd excited states.
 
+       "initial_electronic_state" means the electronc eigenstates 
+       form which trajectories start to run.
+       "initial_electronic_state=0" means that the trajectories run from ground state.
+       The "initial_electronic_state should be less than the "num_electronic_states".
+       i.e., "initial_electronic_state=3" with "num_electronic_states=3" leads to error.
+       The default value of the "initial_electronic_state" is 0.
+
        "seed" means the seed of the random-number-generator.
        The random numbers are used for trajectory-hopping.
        Default seed is generated by the time.