SebWouters / CheMPS2

CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
GNU General Public License v2.0
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psi4conda plugin with CheMPS2 #73

Open aslam18theo opened 4 years ago

aslam18theo commented 4 years ago

Dear CheMPS2 members,

I have installed chemps2 package and psi4conda binary. Now I would like to plugin psi4conda with chemps2. In psi4conda I have the following directory path.

" usr/psi4conda/share/psi4/plugin/mointegrals ''

Here my question is how to plugin this and I would like to get a matrix element for different molecules in fcidump file. Thank you in advance for your answer.