mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-09 01:17:19 +02:00
remove non standard characters
Some checks failed
continuous-integration/drone/push Build is failing
Some checks failed
continuous-integration/drone/push Build is failing
This commit is contained in:
parent
280940dd11
commit
8ceb5734aa
@ -23,10 +23,10 @@ cd $StartDir
|
||||
|
||||
############################################################################
|
||||
#### EXAMPLE OF SCRIPT TO RUN A CIPSI CALCULATION ON 5 STATES ON THE Ne^+ CATION
|
||||
#### USING NATURAL ORBITALS OF A SMALL CIPSI AS MOS
|
||||
#### USING NATURAL ORBITALS OF A SMALL CIPSI AS MOS
|
||||
#### ALL STATES WILL HAVE THE SAME SPIN SIMETRY : A DOUBLET
|
||||
|
||||
####### YOU PUT THE PATH TO YOUR
|
||||
####### YOU PUT THE PATH TO YOUR
|
||||
QP_ROOT=/home_lct/eginer/programs/qp2
|
||||
source ${QP_ROOT}/quantum_package.rc
|
||||
####### YOU LOAD SOME LIBRARIES
|
||||
|
@ -325,7 +325,7 @@ end
|
||||
subroutine triple_htilde_mu_mat_fock_bi_ortho(Nint, key_j, key_i, hmono, htwoe, hthree, htot)
|
||||
use bitmasks
|
||||
BEGIN_DOC
|
||||
! <key_j | H_tilde | key_i> for triple excitation
|
||||
! <key_j | H_tilde | key_i> for triple excitation
|
||||
!!
|
||||
!! WARNING !!
|
||||
!
|
||||
|
Loading…
Reference in New Issue
Block a user