PTEROSOR
/
QuantumPackage
mirror of https://github.com/QuantumPackage/qp2.git
10
0
Fork 0
Code Releases Activity

fixed REPLACE file

This commit is contained in:
Anthony Scemama 2020-03-24 09:04:42 +01:00
parent 95bf96feb9
commit 5b22246674
1 changed files with 0 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
REPLACE
View File

@ -221,13 +221,11 @@ qp_name potential_sr_xc_beta_ao_lda --rename=potential_xc_beta_ao_sr_lda
qp_name potential_sr_xc_beta_ao_lda --rename=potential_xc_beta_ao_sr_lda
qp_name potential_sr_xc_beta_ao_pbe --rename=potential_xc_beta_ao_sr_pbe
qp_name potential_sr_xc_beta_ao_pbe --rename=potential_xc_beta_ao_sr_pbe
<<<<<<< HEAD
qp_name disk_access_nuclear_repulsion --rename=io_nuclear_repulsion
qp_name nucl_elec_ref_bitmask_energy -r ref_bitmask_n_e_energy
qp_name ref_bitmask_e_n_energy -r ref_bitmask_n_e_energy
qp_name read_ao_integrals_e_n -r read_ao_integrals_n_e
qp_name write_ao_integrals_e_n -r write_ao_integrals_n_e
=======
qp_name psi_energy_bielec -r psi_energy_two_e
qp_name read_ao_integrals --rename="read_ao_two_e_integrals"
qp_name read_ao_integrals --rename=read_ao_two_e_integrals