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where is envmc
Posted: Thu Jul 12, 2018 5:44 pm
by Alan_Todd_Yeates
Can anyone tell me where to find the routine envmc? When I try to use it to look at the vmc_opt energies, my computer tells me there is no such command. When I look through the CASINO files, I cannot find this utility in any subdirectory.
Re: where is envmc
Posted: Sat Jul 14, 2018 3:49 am
by Vladimir_Konjkov
Hello Alan
which envmc returns
<CASINO INSTALL DIR>/bin_qmc/envmc
try
source "~/.bashrc.casino"
to update your PATH env. variable
Best Vladimir
Re: where is envmc
Posted: Tue Jul 17, 2018 9:23 pm
by Alan_Todd_Yeates
Thanks Vladimir. Apparently my CASINO does not have envmc. I looked in bin_qmc and the listing goes from egaussian to expval_average, i.e., no envmc. I will try downloading and installing the program again.