projects
/
unres.git
/ commitdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
| commitdiff |
tree
raw
|
patch
| inline |
side by side
(from:
9453fc7
)
Merge branch 'master' of mmka.chem.univ.gda.pl:/unres
master
author
czarek
<cezary.czaplewski@ug.edu.pl>
Tue, 4 Jun 2024 00:36:56 +0000
(
02:36
+0200)
committer
czarek
<cezary.czaplewski@ug.edu.pl>
Tue, 4 Jun 2024 00:36:56 +0000
(
02:36
+0200)
26 files changed:
Changelog
patch
|
blob
|
history
bin/cluster/cluster_unres_ifort.exe
[deleted file]
patch
|
blob
|
history
bin/cluster/cluster_wham-mult_ifort_MPI_4P.exe
[deleted file]
patch
|
blob
|
history
bin/cluster/cluster_wham-mult_ifort_MPI_E0LL2Y.exe
[deleted file]
patch
|
blob
|
history
bin/cluster/cluster_wham-mult_ifort_MPI_GAB.exe
[deleted file]
patch
|
blob
|
history
bin/cluster/cluster_wham_ifort_MPI_4P.exe
[deleted file]
patch
|
blob
|
history
bin/cluster/cluster_wham_ifort_MPI_E0LL2Y.exe
[deleted file]
patch
|
blob
|
history
bin/cluster/cluster_wham_ifort_MPI_GAB.exe
[deleted file]
patch
|
blob
|
history
bin/unres/CSA/unresCSA_ifort_MPI_4P.exe
[deleted file]
patch
|
blob
|
history
bin/unres/CSA/unresCSA_ifort_MPI_E0LL2Y.exe
[deleted file]
patch
|
blob
|
history
bin/unres/CSA/unresCSA_ifort_MPI_GAB.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MD/unresMD-mult_ifort_MPI_4P.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MD/unresMD-mult_ifort_MPI_E0LL2Y.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MD/unresMD-mult_ifort_MPI_GAB.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MD/unresMD_ifort_MPI_4P.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MD/unresMD_ifort_MPI_E0LL2Y.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MD/unresMD_ifort_MPI_GAB.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MINIM/unres_ifort_MIN_single_4P.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe
[deleted file]
patch
|
blob
|
history
bin/unres/MINIM/unres_ifort_MIN_single_GAB.exe
[deleted file]
patch
|
blob
|
history
bin/wham/wham-mult_ifort_MPI_4P.exe
[deleted file]
patch
|
blob
|
history
bin/wham/wham-mult_ifort_MPI_E0LL2Y.exe
[deleted file]
patch
|
blob
|
history
bin/wham/wham-mult_ifort_MPI_GAB.exe
[deleted file]
patch
|
blob
|
history
bin/wham/wham_ifort_MPI_4P.exe
[deleted file]
patch
|
blob
|
history
bin/wham/wham_ifort_MPI_E0LL2Y.exe
[deleted file]
patch
|
blob
|
history
bin/wham/wham_ifort_MPI_GAB.exe
[deleted file]
patch
|
blob
|
history
diff --git
a/Changelog
b/Changelog
index
b84d319
..
534d475
100644
(file)
--- a/
Changelog
+++ b/
Changelog
@@
-4,3
+4,5
@@
2012-04-03: hotfixes and examples added
2014-12-11: Version 3.2.1 released. Sidecain-backbone torsionals introduced for the GAB and E0L2Y force fields. A number of bugs fixed, manuals revised. Minimization alone added (directory src_MIN and MINIM in the bin subdirectory)
+
+2017-09-25: merge with prerelease 3.2.1
\ No newline at end of file
diff --git
a/bin/cluster/cluster_unres_ifort.exe
b/bin/cluster/cluster_unres_ifort.exe
deleted file mode 100755
(executable)
index
084b1cb
..0000000
Binary files a/bin/cluster/cluster_unres_ifort.exe and /dev/null differ
diff --git
a/bin/cluster/cluster_wham-mult_ifort_MPI_4P.exe
b/bin/cluster/cluster_wham-mult_ifort_MPI_4P.exe
deleted file mode 100755
(executable)
index
e562a7c
..0000000
Binary files a/bin/cluster/cluster_wham-mult_ifort_MPI_4P.exe and /dev/null differ
diff --git
a/bin/cluster/cluster_wham-mult_ifort_MPI_E0LL2Y.exe
b/bin/cluster/cluster_wham-mult_ifort_MPI_E0LL2Y.exe
deleted file mode 100755
(executable)
index
5b03fc6
..0000000
Binary files a/bin/cluster/cluster_wham-mult_ifort_MPI_E0LL2Y.exe and /dev/null differ
diff --git
a/bin/cluster/cluster_wham-mult_ifort_MPI_GAB.exe
b/bin/cluster/cluster_wham-mult_ifort_MPI_GAB.exe
deleted file mode 100755
(executable)
index
c689c2d
..0000000
Binary files a/bin/cluster/cluster_wham-mult_ifort_MPI_GAB.exe and /dev/null differ
diff --git
a/bin/cluster/cluster_wham_ifort_MPI_4P.exe
b/bin/cluster/cluster_wham_ifort_MPI_4P.exe
deleted file mode 100755
(executable)
index
ce2e038
..0000000
Binary files a/bin/cluster/cluster_wham_ifort_MPI_4P.exe and /dev/null differ
diff --git
a/bin/cluster/cluster_wham_ifort_MPI_E0LL2Y.exe
b/bin/cluster/cluster_wham_ifort_MPI_E0LL2Y.exe
deleted file mode 100755
(executable)
index
56879dc
..0000000
Binary files a/bin/cluster/cluster_wham_ifort_MPI_E0LL2Y.exe and /dev/null differ
diff --git
a/bin/cluster/cluster_wham_ifort_MPI_GAB.exe
b/bin/cluster/cluster_wham_ifort_MPI_GAB.exe
deleted file mode 100755
(executable)
index
353b354
..0000000
Binary files a/bin/cluster/cluster_wham_ifort_MPI_GAB.exe and /dev/null differ
diff --git
a/bin/unres/CSA/unresCSA_ifort_MPI_4P.exe
b/bin/unres/CSA/unresCSA_ifort_MPI_4P.exe
deleted file mode 100755
(executable)
index
bcf87b5
..0000000
Binary files a/bin/unres/CSA/unresCSA_ifort_MPI_4P.exe and /dev/null differ
diff --git
a/bin/unres/CSA/unresCSA_ifort_MPI_E0LL2Y.exe
b/bin/unres/CSA/unresCSA_ifort_MPI_E0LL2Y.exe
deleted file mode 100755
(executable)
index
671aa3c
..0000000
Binary files a/bin/unres/CSA/unresCSA_ifort_MPI_E0LL2Y.exe and /dev/null differ
diff --git
a/bin/unres/CSA/unresCSA_ifort_MPI_GAB.exe
b/bin/unres/CSA/unresCSA_ifort_MPI_GAB.exe
deleted file mode 100755
(executable)
index
dc845ac
..0000000
Binary files a/bin/unres/CSA/unresCSA_ifort_MPI_GAB.exe and /dev/null differ
diff --git
a/bin/unres/MD/unresMD-mult_ifort_MPI_4P.exe
b/bin/unres/MD/unresMD-mult_ifort_MPI_4P.exe
deleted file mode 100755
(executable)
index
818b31d
..0000000
Binary files a/bin/unres/MD/unresMD-mult_ifort_MPI_4P.exe and /dev/null differ
diff --git
a/bin/unres/MD/unresMD-mult_ifort_MPI_E0LL2Y.exe
b/bin/unres/MD/unresMD-mult_ifort_MPI_E0LL2Y.exe
deleted file mode 100755
(executable)
index
08a0058
..0000000
Binary files a/bin/unres/MD/unresMD-mult_ifort_MPI_E0LL2Y.exe and /dev/null differ
diff --git
a/bin/unres/MD/unresMD-mult_ifort_MPI_GAB.exe
b/bin/unres/MD/unresMD-mult_ifort_MPI_GAB.exe
deleted file mode 100755
(executable)
index
6743f73
..0000000
Binary files a/bin/unres/MD/unresMD-mult_ifort_MPI_GAB.exe and /dev/null differ
diff --git
a/bin/unres/MD/unresMD_ifort_MPI_4P.exe
b/bin/unres/MD/unresMD_ifort_MPI_4P.exe
deleted file mode 100755
(executable)
index
abce46e
..0000000
Binary files a/bin/unres/MD/unresMD_ifort_MPI_4P.exe and /dev/null differ
diff --git
a/bin/unres/MD/unresMD_ifort_MPI_E0LL2Y.exe
b/bin/unres/MD/unresMD_ifort_MPI_E0LL2Y.exe
deleted file mode 100755
(executable)
index
893050c
..0000000
Binary files a/bin/unres/MD/unresMD_ifort_MPI_E0LL2Y.exe and /dev/null differ
diff --git
a/bin/unres/MD/unresMD_ifort_MPI_GAB.exe
b/bin/unres/MD/unresMD_ifort_MPI_GAB.exe
deleted file mode 100755
(executable)
index
ed65c45
..0000000
Binary files a/bin/unres/MD/unresMD_ifort_MPI_GAB.exe and /dev/null differ
diff --git
a/bin/unres/MINIM/unres_ifort_MIN_single_4P.exe
b/bin/unres/MINIM/unres_ifort_MIN_single_4P.exe
deleted file mode 100755
(executable)
index
abc8270
..0000000
Binary files a/bin/unres/MINIM/unres_ifort_MIN_single_4P.exe and /dev/null differ
diff --git
a/bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe
b/bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe
deleted file mode 100755
(executable)
index
c06b2c8
..0000000
Binary files a/bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe and /dev/null differ
diff --git
a/bin/unres/MINIM/unres_ifort_MIN_single_GAB.exe
b/bin/unres/MINIM/unres_ifort_MIN_single_GAB.exe
deleted file mode 100755
(executable)
index
e855661
..0000000
Binary files a/bin/unres/MINIM/unres_ifort_MIN_single_GAB.exe and /dev/null differ
diff --git
a/bin/wham/wham-mult_ifort_MPI_4P.exe
b/bin/wham/wham-mult_ifort_MPI_4P.exe
deleted file mode 100755
(executable)
index
3d34981
..0000000
Binary files a/bin/wham/wham-mult_ifort_MPI_4P.exe and /dev/null differ
diff --git
a/bin/wham/wham-mult_ifort_MPI_E0LL2Y.exe
b/bin/wham/wham-mult_ifort_MPI_E0LL2Y.exe
deleted file mode 100755
(executable)
index
beb6703
..0000000
Binary files a/bin/wham/wham-mult_ifort_MPI_E0LL2Y.exe and /dev/null differ
diff --git
a/bin/wham/wham-mult_ifort_MPI_GAB.exe
b/bin/wham/wham-mult_ifort_MPI_GAB.exe
deleted file mode 100755
(executable)
index
07ef3f7
..0000000
Binary files a/bin/wham/wham-mult_ifort_MPI_GAB.exe and /dev/null differ
diff --git
a/bin/wham/wham_ifort_MPI_4P.exe
b/bin/wham/wham_ifort_MPI_4P.exe
deleted file mode 100755
(executable)
index
afe88c3
..0000000
Binary files a/bin/wham/wham_ifort_MPI_4P.exe and /dev/null differ
diff --git
a/bin/wham/wham_ifort_MPI_E0LL2Y.exe
b/bin/wham/wham_ifort_MPI_E0LL2Y.exe
deleted file mode 100755
(executable)
index
591cae2
..0000000
Binary files a/bin/wham/wham_ifort_MPI_E0LL2Y.exe and /dev/null differ
diff --git
a/bin/wham/wham_ifort_MPI_GAB.exe
b/bin/wham/wham_ifort_MPI_GAB.exe
deleted file mode 100755
(executable)
index
63be42c
..0000000
Binary files a/bin/wham/wham_ifort_MPI_GAB.exe and /dev/null differ