== Source == In general, there are two kinds of folder in bdf-pkg/source. One type of folders with suffix "_util" (such as scf_util) corresponds to folders that do not contain a main program. They contain library routines shared or used by different programs. The other type of folders (such as scf) corresponds to folders which contain a main.F90 program. Source codes in these folder are compiled and linked to an executable files with the name "foldername.x" and are saved in directory bdf-pkg/bin. Folders in '''bdf-pkg/source''': ||'''Folder''' ||'''Description''' || ||atom || || ||atom_mod || || ||atom_util || || ||bdf_cvwint2e || || ||bdf_opencl_util ||System util of OpenCL support in BDF || ||bdf_rel1e || || ||bdf_rel1e_NRpart || || ||bdf_rel2e || || ||bdf_relbas || || ||bdf_relmod || || ||bdf_relshl || || ||bdf_x2c || || ||[[Develop/c_util|c_util]] || || ||cbmrpt2 || || ||ccsdso || || ||ccsdso_util || || ||cdri_util || || ||ci_util || || ||cl_dft_kernel ||OpenCL kernels for DFT, C99 language || ||class || || ||compass || || ||contsi || || ||corr2 || || ||detci || || ||dft ||Share library of DFT, should be changed to dft_util || ||dhf || || ||dpdmrpt2 || || ||drt || || ||ecpint_util || || ||eomeaso || || ||eomeaso_util || || ||eomeeso || || ||eomeeso_util || || ||eomipso || || ||eomipso_util || || ||erd ||Remove later || ||erd_ACESIII ||Remove later || ||eri_util ||Library for ERI and gradients calculation || ||exact2c_util || || ||extra_lib || || ||f77_cg || || ||f77_dftd3 || || ||f77_util || || ||f77_xc ||XC functional Fortran 77 code || ||fci || || ||flmo_util || || ||fmm_util ||Faster multipole library - in developing || ||geom_opt || || ||grad_util ||Share library for gradients || ||group_util ||Share library for point group untility || ||icci_new_918 || || ||icoord_mod || || ||include ||Fortran and C head files || ||int1e_util ||Library of 1e integrals || ||int_util ||Library of 2e integrals || ||lagrangian || || ||libecctrip || || ||libmath_f77 || || ||libmath_mod || || ||libmath_test || || ||libmath_util || || ||libmathc_util || || ||libr || || ||librcc || || ||libundmol || || ||list || || ||localmo || || ||mathlib || || ||[[Develop/math_cutil|math_cutil]] || mathlibrary in cpp, mainly iVI code || ||mccepa || || ||mccepa_util || || ||mcci || || ||mcgugaci_util || || ||mcmodule || || ||mcmp2 || || ||mcrcfgs || || ||mcscf || || ||mcscf_util || || ||mctpdmcfg || || ||mctrans || || ||module || || ||mp2 || || ||mrci || || ||mrso || || ||nmr || || ||nmr_mod || || ||norbord || || ||[[Develop/noxci|noxci]] || || ||noxci_util || || ||opdmcfg || || ||orbhess || || ||orbord || || ||orbxcsfcfg || || ||para_util ||Library for parallel calculation. || ||pmrci || || ||postscf || || ||properties || || ||relint1e_util || || ||relint2e_util || || ||relscf || || ||reorderorb || || ||resp ||driver of response || ||resp_f77 || || ||resp_mod || || ||resp_util || || ||respc_util || || ||scf ||SCF program || ||scf_util ||Library of SCF || ||scf_cutil ||Library of SCF, cpp part || ||socint || || ||soint_util || || ||strci || || ||strmcrcfgs || || ||sys_util ||System libraries such as IO, system initialization || ||tddft ||TDDFT || ||tddft_props || || ||tddft_util ||Share library of TDDFT || ||tddftc || || ||tidyorb || || ||tools || || ||tpdmcfg || || ||traint || || ||traint_util || || ||traintmc || || ||undmcscf || || ||undmol_drv || || ||undmol_util || || ||vgmfci || electron-nuclei mean field configuration interaction routines || ||x2c || || ||xuanyuan || ||