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Add LIB files in plugins
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@ -29,7 +29,7 @@
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- Disk-based Davidson when too much memory is required
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- Fixed bug in DIIS
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- Fixed bug in molden (Au -> Angs)
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*** User interface
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- Added ~qp_basis~ script to install a basis set from the ~bse~
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@ -38,7 +38,7 @@
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~psi_coef_qp_edit~ to accelerate the opening of qp_edit with
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large wave functions
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- Removed ~etc/ninja.rc~
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- Added flag to specify if the AOs are normalized
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- Added flag to specify if the AOs are normalized
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- Added flag to specify if the primitive Gaussians are normalized
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- Added ~lin_dep_cutoff~, the cutoff for linear dependencies
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- Davidson convergence threshold can be adapted from PT2
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@ -51,7 +51,7 @@
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- Added ~print_energy~
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- Added ~print_hamiltonian~
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- Added input for two body RDM
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- Added keyword ~save_wf_after_selection~
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- Added keyword ~save_wf_after_selection~
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*** Code
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@ -75,11 +75,11 @@
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- Added ~V_ne_psi_energy~
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- Added ~h_core_guess~ routine
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- Fixed Laplacians in real space (indices)
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-
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- Added LIB file to add extra libs in plugin
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ao_one_e_integral_zero
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banned_excitations
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@ -108,6 +108,15 @@ def ninja_create_env_variable(pwd_config_file):
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lib_usr = get_compilation_option(pwd_config_file, "LIB")
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str_lib = " ".join([lib_lapack, EZFIO_LIB, ZMQ_LIB, LIB, lib_usr])
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# Read all LIB files in modules
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targetPattern = r"src/**/LIB"
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for libfile in glob.glob(targetPattern):
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content = ""
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with open(libfile,'r') as f:
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content = f.read()
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str_lib += " "+content
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l_string.append("LIB = {0} ".format(str_lib))
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l_string.append("")
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