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Commit afbde393 authored by Adam Hospital's avatar Adam Hospital
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fixed fileref bug

parent 60421b5f
Pipeline #5857 skipped
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src/paramSet.f
View file @ afbde393
...@@ -52,6 +52,7 @@ real*8 :: hstep=1.0 ...@@ -52,6 +52,7 @@ real*8 :: hstep=1.0
REAL :: errorAcceptable=1.00 ! 1.25 should be the value REAL :: errorAcceptable=1.00 ! 1.25 should be the value
INTEGER :: nskip=5 INTEGER :: nskip=5
REAL :: sigmaFake=0.02 REAL :: sigmaFake=0.02
CHARACTER(LEN=20) :: fileref='reference.pdb'
real:: RMSD_DIF=0.01 ! A real:: RMSD_DIF=0.01 ! A
real*8::rcontacts=50.0d0 real*8::rcontacts=50.0d0
LOGICAL :: writingStandard = .TRUE. LOGICAL :: writingStandard = .TRUE.
...@@ -60,10 +61,10 @@ CONTAINS ...@@ -60,10 +61,10 @@ CONTAINS
!=============================================================================== !===============================================================================
subroutine readInputParamSet (unit_i) subroutine readInputParamSet (unit_i)
integer, intent(IN) :: unit_i integer, intent(IN) :: unit_i
character(100) fileref
! !
namelist /input/ tsnap,temp,seed,nbloc,scalFactor,Ener_evo_size,& namelist /input/ tsnap,temp,seed,nbloc,scalFactor,Ener_evo_size,&
Ener_evo_size,nskip,tact,errorAcceptable,writingStandard,fileref,natomMin ! Ener_evo_size,nskip,tact,errorAcceptable,writingStandard,fileref,natomMin
Ener_evo_size,nskip,tact,errorAcceptable,writingStandard,natomMin
! !
read (unit_i, INPUT) read (unit_i, INPUT)
! checking ! checking
......
src/vars.h
View file @ afbde393
...@@ -120,4 +120,3 @@ ...@@ -120,4 +120,3 @@
logical:: finishMD logical:: finishMD
real(dbl):: errorBKP=10000.0 real(dbl):: errorBKP=10000.0
character(100) fileref
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