easyconfigs-it4i/d/dftd3-lib/dftd3-lib-0.9.2_fix-extras-syntax.patch
2021-07-02 11:52:11 +02:00

23 lines
735 B
Diff

Fix syntax of extras.f90
Author: Alex Domingo (Vrije Universiteit Brussel)
--- prg/extras.f90.orig 2020-04-07 15:53:37.579346000 +0200
+++ prg/extras.f90 2020-04-07 15:53:47.270025090 +0200
@@ -285,7 +285,7 @@
close(11)
write(*,*) 'checksum (Edisp) ',check
- if (abs(check-etot).gt.1.d-3)stop'something is weired in adisp'
+ if (abs(check-etot).gt.1.d-3) stop 'something is weired in adisp'
inquire(file='fragment',exist=ex)
if (.not.ex) return
@@ -1746,7 +1746,7 @@
close(11)
write(*,*) 'checksum (Edisp) ',check
- if (abs(check-etot).gt.1.d-3)stop'something is weired in adisp'
+ if (abs(check-etot).gt.1.d-3) stop 'something is weired in adisp'
deallocate(dist,li)
return