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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.