scemama
/
qp_plugins_scemama
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git
1
0
Fork 0
Code Issues Releases Wiki Activity
qp_plugins_scemama/devel/general_mrci
History
Anthony Scemama c34324368e Added general MRCI 2020-12-15 19:02:38 +01:00
..
.gitignore Added general MRCI 2020-12-15 19:02:38 +01:00
EZFIO.cfg Added general MRCI 2020-12-15 19:02:38 +01:00
NEED Added general MRCI 2020-12-15 19:02:38 +01:00
README.rst Added general MRCI 2020-12-15 19:02:38 +01:00
class.irp.f Added general MRCI 2020-12-15 19:02:38 +01:00
h_apply.irp.f Added general MRCI 2020-12-15 19:02:38 +01:00
mrci.irp.f Added general MRCI 2020-12-15 19:02:38 +01:00
save_energy.irp.f Added general MRCI 2020-12-15 19:02:38 +01:00

README.rst 

============
general_mrci
============

Allows the computation of singles and doubles on top of an arbitrary reference wave function.