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cluster wham test homo small memory single sco
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 21 Jul 2020 11:12:07 +0000 (13:12 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 21 Jul 2020 11:12:07 +0000 (13:12 +0200)
source/cluster/wham/src-HCD-5D/read_constr_homology.F patch | blob | history
source/wham/src-HCD-5D/read_constr_homology.F patch | blob | history

diff --git a/source/cluster/wham/src-HCD-5D/read_constr_homology.F b/source/cluster/wham/src-HCD-5D/read_constr_homology.F
index 0b265fa..2a8f127 100644 (file)
--- a/source/cluster/wham/src-HCD-5D/read_constr_homology.F
+++ b/source/cluster/wham/src-HCD-5D/read_constr_homology.F
@@ -257,8 +257,8 @@ c    &                       constr_homology
               endif
               sigma_odl(k,ii)=1.0d0/(sigma_odl(k,ii)*sigma_odl(k,ii)) 
             else
-              ii=ii+1
-              l_homo(k,ii)=.false.
+ct              ii=ii+1
+ct              l_homo(k,ii)=.false.
             endif
             enddo
           enddo
diff --git a/source/wham/src-HCD-5D/read_constr_homology.F b/source/wham/src-HCD-5D/read_constr_homology.F
index fa81b80..239a49e 100644 (file)
--- a/source/wham/src-HCD-5D/read_constr_homology.F
+++ b/source/wham/src-HCD-5D/read_constr_homology.F
@@ -259,8 +259,8 @@ c    &                       constr_homology
               endif
               sigma_odl(k,ii)=1.0d0/(sigma_odl(k,ii)*sigma_odl(k,ii)) 
             else
-              ii=ii+1
-              l_homo(k,ii)=.false.
+ct              ii=ii+1
+ct              l_homo(k,ii)=.false.
             endif
             enddo
           enddo
UNRESPACK 3.x