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ion_dynamics=langevin-smc is added to the allow list. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10428 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
ustcscgyer 2013-08-07 15:16:16 +00:00
parent 06686501e1
commit d8fd331cd6
2 changed files with 5 additions and 4 deletions
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5
Modules/input_parameters.f90
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@ -1002,9 +1002,10 @@ MODULE input_parameters
CHARACTER(len=80) :: ion_dynamics = 'none'
! set how ions should be moved
CHARACTER(len=80) :: ion_dynamics_allowed(8)
CHARACTER(len=80) :: ion_dynamics_allowed(9)
DATA ion_dynamics_allowed / 'none', 'sd', 'cg', 'langevin', &
'damp', 'verlet', 'bfgs', 'beeman' /
'damp', 'verlet', 'bfgs', 'beeman',&
'langevin-smc' /
REAL(DP) :: ion_radius(nsx) = 0.5_DP
! pseudo-atomic radius of the i-th atomic species

4
PW/src/Makefile
View File

@ -3,7 +3,7 @@
include ../../make.sys
# location of needed modules
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules $(MOD_FLAG).
MODFLAGS= $(MOD_FLAG)../../Environ/src $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules $(MOD_FLAG).
PWOBJS = \
pwscf.o
@ -230,7 +230,7 @@ wannier_clean.o \
wannier_occ.o \
wannier_enrg.o \
QEMODS=../../Modules/libqemod.a
QEMODS=../../Environ/src/libenviron.a ../../Modules/libqemod.a
TLDEPS=bindir mods libs liblapack libblas libenviron