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fireballtg_file_formats [2009/11/01 11:10] admin |
fireballtg_file_formats [2009/11/01 11:15] admin |
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Here you can find a list of parameters defined in **''fireball.in''** file and their default settings | Here you can find a list of parameters defined in **''fireball.in''** file and their default settings | ||
Begin of each section is defined by a line containing **''&NAMELIST''** and ended by a line containing a string **''&END''**. | Begin of each section is defined by a line containing **''&NAMELIST''** and ended by a line containing a string **''&END''**. | ||
- | There is a list of sections: | + | If more than one section with the same name is defined only the first listed instance is considered. |
+ | List of the active sections: | ||
* OPTIONS | * OPTIONS | ||
* OUTPUTS | * OUTPUTS | ||
* QUENCH | * QUENCH | ||
* MESH | * MESH | ||
- | * TDSE | + | * TDS |
+ | |||
+ | A detail list of variables of the each section follows bellow: | ||
====== SECTION: OPTIONS ====== | ====== SECTION: OPTIONS ====== | ||
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g0(1:3) = 0.0d0 | g0(1:3) = 0.0d0 | ||
- | ====== SECTION: TDSE ====== | + | ====== SECTION: TDS ====== |
netime = 1000 ! no. of electron time steps within one MD step | netime = 1000 ! no. of electron time steps within one MD step |