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Adam Hospital
GOdMD
Commits
afbde393
Commit
afbde393
authored
Mar 14, 2021
by
Adam Hospital
Browse files
fixed fileref bug
parent
60421b5f
Pipeline
#5857
skipped
Changes
2
Pipelines
1
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Side-by-side
src/paramSet.f
View file @
afbde393
...
...
@@ -52,6 +52,7 @@ real*8 :: hstep=1.0
REAL
::
errorAcceptable
=
1.00
! 1.25 should be the value
INTEGER
::
nskip
=
5
REAL
::
sigmaFake
=
0.02
CHARACTER
(
LEN
=
20
)
::
fileref
=
'reference.pdb'
real
::
RMSD_DIF
=
0.01
! A
real
*
8
::
rcontacts
=
50.0d0
LOGICAL
::
writingStandard
=
.TRUE.
...
...
@@ -60,10 +61,10 @@ CONTAINS
!===============================================================================
subroutine
readInputParamSet
(
unit_i
)
integer
,
intent
(
IN
)
::
unit_i
character
(
100
)
fileref
!
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
)
! checking
...
...
src/vars.h
View file @
afbde393
...
...
@@ -120,4 +120,3 @@
logical
::
finishMD
real
(
dbl
)
::
errorBKP
=
10000
.
0
character
(
100
)
fileref
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