QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: fangyongxinxi on May 2, 2013, 16:51

Title: How to "inspect_.nc_file" ?
Post by: fangyongxinxi on May 2, 2013, 16:51

Dear Sir,

1. the sript "inspect_vnl_file" helps me alot, now is there some kind of "inspect_nc_file"?

2. the problem in my hand is: If I want to get the "TotalEnergy" and the corresponding id_,
such as:

E0,  id0
E1,  id1
E2,  id2
....

 the tranditional way is use "nlprint". But this conmand give alot information about the total energy, However, I just want the final value and the id
so, could you show me a sript on how to get this ?

Thanks~

FangYong

Title: Re: How to "inspect_.nc_file" ?
Post by: Anders Blom on May 2, 2013, 23:16

There is an "nlinspect", but perhaps you just need to use

print total_energy.evaluate()

instead of nlprint(total_energy) to achieve what you want?

Title: Re: How to "inspect_.nc_file" ?
Post by: fangyongxinxi on May 3, 2013, 08:21

Thanks for your help~

Quote from: Anders Blom on May  2, 2013, 23:16

There is an "nlinspect", but perhaps you just need to use

print total_energy.evaluate()

instead of nlprint(total_energy) to achieve what you want?