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Deletions are marked like this. Additions are marked like this.
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|| atom ||
|| atom_mod ||
atom_util
bdf_cvwint2e
bdf_opencl_util
bdf_rel1e
bdf_rel1e_NRpart
bdf_rel2e
bdf_relbas
bdf_relmod
bdf_relshl
bdf_x2c
c_util
cbmrpt2
ccsdso
ccsdso_util
cdri_util
ci_util
cl_dft_kernel
class
compass
contsi
detci
dft
dhf
dpdmrpt2
drt
ecpint_util
eomeaso
eomeaso_util
eomeeso
eomeeso_util
eomipso
eomipso_util
erd
erd_ACESIII
eri_util
exact2c_util
expandmo
extra_lib
f77_cg
f77_dftd3
f77_util
f77_xc
fci
flmo_util
fmm_util
genfrag
geom_opt
grad
grad_util
group_util
icci_new_918
icoord_mod
include
int1e_util
int_util
lagrangian
libecctrip
libmath_f77
libmath_mod
libmath_test
libmath_util
libmathc_util
libr
librcc
libundmol
list
localmo
mathlib
mccepa
mccepa_util
mcci
mcgugaci_util
mcmodule
mcmp2
mcrcfgs
mcscf
mcscf_util
mctpdmcfg
mctrans
module
mp2
mrci
mrso
nmr
nmr_mod
norbord
opdmcfg
orbhess
orbord
orbxcsfcfg
para_util
pmrci
postscf
properties
readme
relint1e_util
relint2e_util
relscf
reorderorb
resp
resp_f77
resp_mod
resp_util
respc_util
scf
scf_util
socint
soint_util
strci
strmcrcfgs
sys_util
tags
tddft
tddft_props
tddft_util
tddftc
tidyorb
tools
tpdmcfg
traint
traint_util
traintmc
undmcscf
undmol_drv
undmol_util
vgmfci
x2c
xuanyuan
|| atom || ||
|| atom_mod || ||
|| atom_util || ||
|| bdf_cvwint2e || ||
|| bdf_opencl_util || ||
|| bdf_rel1e || ||
|| bdf_rel1e_NRpart || ||
|| bdf_rel2e || ||
|| bdf_relbas || ||
|| bdf_relmod || ||
|| bdf_relshl || ||
|| bdf_x2c || ||
|| c_util || ||
|| cbmrpt2 || ||
|| ccsdso || ||
|| ccsdso_util || ||
|| cdri_util || ||
|| ci_util || ||
|| cl_dft_kernel || ||
|| class || ||
|| compass || ||
|| contsi || ||
|| detci || ||
|| dft || ||
|| dhf || ||
|| dpdmrpt2 || ||
|| drt || ||
|| ecpint_util || ||
|| eomeaso || ||
|| eomeaso_util || ||
|| eomeeso || ||
|| eomeeso_util || ||
|| eomipso || ||
|| eomipso_util || ||
|| erd || ||
|| erd_ACESIII || ||
|| eri_util || ||
|| exact2c_util || ||
|| expandmo || ||
|| extra_lib || ||
|| f77_cg || ||
|| f77_dftd3 || ||
|| f77_util || ||
|| f77_xc || ||
|| fci || ||
|| flmo_util || ||
|| fmm_util || ||
|| genfrag || ||
|| geom_opt || ||
|| grad || ||
|| grad_util || ||
|| group_util || ||
|| icci_new_918 || ||
|| icoord_mod || ||
|| include || ||
|| int1e_util || ||
|| int_util || ||
|| lagrangian || ||
|| libecctrip || ||
|| libmath_f77 || ||
|| libmath_mod || ||
|| libmath_test || ||
|| libmath_util || ||
|| libmathc_util || ||
|| libr || ||
|| librcc || ||
|| libundmol || ||
|| list || ||
|| localmo || ||
|| mathlib || ||
|| mccepa || ||
|| mccepa_util || ||
|| mcci || ||
|| mcgugaci_util || ||
|| mcmodule || ||
|| mcmp2 || ||
|| mcrcfgs || ||
|| mcscf || ||
|| mcscf_util || ||
|| mctpdmcfg || ||
|| mctrans || ||
|| module || ||
|| mp2 || ||
|| mrci || ||
|| mrso || ||
|| nmr || ||
|| nmr_mod || ||
|| norbord || ||
|| opdmcfg || ||
|| orbhess || ||
|| orbord || ||
|| orbxcsfcfg || ||
|| para_util || ||
|| pmrci || ||
|| postscf || ||
|| properties || ||
|| readme || ||
|| relint1e_util || ||
|| relint2e_util || ||
|| relscf || ||
|| reorderorb || ||
|| resp || ||
|| resp_f77 || ||
|| resp_mod || ||
|| resp_util || ||
|| respc_util || ||
|| scf || ||
|| scf_util || ||
|| socint || ||
|| soint_util || ||
|| strci || ||
|| strmcrcfgs || ||
|| sys_util || ||
|| tags || ||
|| tddft || ||
|| tddft_props || ||
|| tddft_util || ||
|| tddftc || ||
|| tidyorb || ||
|| tools || ||
|| tpdmcfg || ||
|| traint || ||
|| traint_util || ||
|| traintmc || ||
|| undmcscf || ||
|| undmol_drv || ||
|| undmol_util || ||
|| vgmfci || ||
|| x2c || ||
|| xuanyuan || ||

BDF - Beijing Density Functional program package

Insert BDF introduction here.

Features

Version history

Source structure

atom

atom_mod

atom_util

bdf_cvwint2e

bdf_opencl_util

bdf_rel1e

bdf_rel1e_NRpart

bdf_rel2e

bdf_relbas

bdf_relmod

bdf_relshl

bdf_x2c

c_util

cbmrpt2

ccsdso

ccsdso_util

cdri_util

ci_util

cl_dft_kernel

class

compass

contsi

detci

dft

dhf

dpdmrpt2

drt

ecpint_util

eomeaso

eomeaso_util

eomeeso

eomeeso_util

eomipso

eomipso_util

erd

erd_ACESIII

eri_util

exact2c_util

expandmo

extra_lib

f77_cg

f77_dftd3

f77_util

f77_xc

fci

flmo_util

fmm_util

genfrag

geom_opt

grad

grad_util

group_util

icci_new_918

icoord_mod

include

int1e_util

int_util

lagrangian

libecctrip

libmath_f77

libmath_mod

libmath_test

libmath_util

libmathc_util

libr

librcc

libundmol

list

localmo

mathlib

mccepa

mccepa_util

mcci

mcgugaci_util

mcmodule

mcmp2

mcrcfgs

mcscf

mcscf_util

mctpdmcfg

mctrans

module

mp2

mrci

mrso

nmr

nmr_mod

norbord

opdmcfg

orbhess

orbord

orbxcsfcfg

para_util

pmrci

postscf

properties

readme

relint1e_util

relint2e_util

relscf

reorderorb

resp

resp_f77

resp_mod

resp_util

respc_util

scf

scf_util

socint

soint_util

strci

strmcrcfgs

sys_util

tags

tddft

tddft_props

tddft_util

tddftc

tidyorb

tools

tpdmcfg

traint

traint_util

traintmc

undmcscf

undmol_drv

undmol_util

vgmfci

x2c

xuanyuan

Introduction (last edited 2022-09-23 13:53:57 by wangzikuan)