Is there some code to read, write and modify WFN files

feihu liu liufe... at gmail.com
Wed Feb 15 09:06:47 UTC 2017


Hi Yi,

I also want to read the WFN file, but I cannot find the RestartTool in 
tools folder in version 2.6.2 and 2.6.0. Would you like to tell more. Thank 
you!

Bests,
Feihu


在 2015年4月23日星期四 UTC+8上午12:57:32,姚懿写道:
>
> I found it.
>
> In version 2.6, there is a tool named RestartTool in the tools folder can 
> do it.
>
> Yi
>
> On Wednesday, April 22, 2015 at 8:39:14 AM UTC-4, 姚懿 wrote:
>>
>> I would like to do a SCF calculation for a system then add some atom 
>> without electron into it. So, the number of basis set is not consistent. 
>> Would you please point out how to read and write WFN file so that I can 
>> make the first SCF WFN file suitable for the latter restart.
>>
>> Yi
>>
>
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