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tddft stubbing

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edoapra 2017-12-02 16:17:45 -08:00
parent 5d85edcbec
commit 8d9c0b5cf0
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src/config/make_nwchem_config
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@ -299,7 +299,7 @@ STUBROUTINES := $(patsubst rism,task_rism rism_input,$(STUBROUTINES) )
STUBROUTINES := $(patsubst qmmm, qmmm_input task_qmmm_fep task_qmmm_abc qmmm_print_energy1 qmmm_forces qmmm_init qmmm_end task_qmmm_energy task_qmmm_gradient task_qmmm_optimize task_qmmm_dynamics task_qmmm_esp task_qmmm_pes task_qmmm_thermo qmmm_bq_forces,$(STUBROUTINES) )
STUBROUTINES := $(patsubst mm, mm_add_energy mm_add_egrad mm_input mmi_init mmi_end mm_task_gradient mm_task_energy,$(STUBROUTINES) )
STUBROUTINES := $(patsubst dplot,dplot dplot_input player,$(STUBROUTINES) )
STUBROUTINES := $(patsubst property,property raman_input task_raman prop_input hnd_nwhnd_tran hnd_prp_vec_read hnd_diag hnd_elfcon_symm hnd_elfcon hnd_elfcon_fde get_slctd_atoms xc_tabcd_giao_nmr_rhs int_giao_1ega giao_b1_movecs,$(STUBROUTINES) )
STUBROUTINES := $(patsubst property,property raman_input task_raman prop_input hnd_nwhnd_tran hnd_prp_vec_read hnd_diag hnd_elfcon_symm hnd_elfcon hnd_elfcon_fde get_slctd_atoms xc_tabcd_giao_nmr_rhs int_giao_1ega fiao_b1_movecs giao_b1_movecs,$(STUBROUTINES) )
STUBROUTINES := $(patsubst solvation,cosmo_input cosmo_initialize cosmo_charges cosmo_charges_from_dmat cosmo_def_radii cosmo_tidy cosff cosdff grad_hnd_cos cosmo_smd_output cosmo_vem_output,$(STUBROUTINES) )
STUBROUTINES := $(patsubst vscf,task_vscf vscf_input,$(STUBROUTINES) )
STUBROUTINES := $(patsubst dntmc,task_dntmc dntmc_input,$(STUBROUTINES) )