#! conventional and density-fitting mp2 test of mp2 itself and setting scs-mp2

memory 250 mb



molecule h2o {
O
H 1 1.0
H 1 1.0 2 90.0
}

set basis cc-pvdz

print('   Testing mp2 (df) ...')
val = energy('mp2')

clean()

set mp2_type conv

print('   Testing mp2 (conv) ...')
val = energy('mp2')

clean()

set mp2_os_scale 1.2
set mp2_ss_scale 0.33333333333333333

set mp2_type df

print('   Testing explicit scs mp2 (df) ...')
val = energy('mp2')

clean()

set mp2_type conv

print('   Testing explicit mp2 (conv) ...')
val = energy('mp2')

compare_values(conv_mp2tot, val, 5, 'mp2 return')
clean()


set mp2_os_scale 0.5
set mp2_ss_scale 0.5

set mp2_type df

print('   Testing user-def scs mp2 (df) ...')
val = energy('mp2')

clean()

set mp2_type conv

print('   Testing user-def scs mp2 (conv) ...')
val = energy('mp2')

clean()

