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(parent: 682cfaf) | patch
ctest cluster wham
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 14 Mar 2020 21:05:20 +0000 (22:05 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sat, 14 Mar 2020 21:05:20 +0000 (22:05 +0100)
commitb0c21738886d70f821a78420b200905f9e36130f
tree89d7e9e71a0512bbe3acb57e9c19a1d881639a97tree | snapshot
parent682cfafe9214886e249bc1fe0f7f16813b2c82c5commit | diff
ctest cluster wham
114 files changed:
CMakeLists.txt diff | blob | history
ctest/1L2Y_clust.inp diff | blob | history
source/cluster/wham/src-M-SAXS-homology/CMakeLists.txt [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.CHAIN [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.CLUSTER [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.CONTACTS.org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.CONTROL [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.DFA [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.FFIELD [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.FREE [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.GEO [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.HEADER [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.HOMOLOGY [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.HOMRESTR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.IOUNITS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.LANGEVIN [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.MCM [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.MINIM [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.MPI [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.NAMES [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.SAXS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.SBRIDGE [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.SCCOR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.SCROT [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.SHIELD [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.TEMPFAC [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.THREAD [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.TIME1 [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.TORSION.org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/COMMON.VAR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/DIMENSIONS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/DIMENSIONS.COMPAR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/Makefile [new symlink] blob
source/cluster/wham/src-M-SAXS-homology/Makefile-MPICH-gfortran [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/Makefile-MPICH-ifort [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/Makefile-MPICH-ifort-okeanos [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/Makefile-MPICH-ifort-prometheus [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/Makefile-okeanos [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/TMscore.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/arcos.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/cartprint.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/chain_symmetry.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/chainbuild.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/compinfo.c [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/contact.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/convert.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/dfa.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/energy_p_new.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/energy_p_new.F.safe [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/fitsq.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/geomout.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/gnmr1.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/hc.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/icant.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.CALC [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.CONTACTS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.CONTACTS.safe [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.CONTPAR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.DERIV [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.DERIV.org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.FRAG [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.GEO [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.HEADER [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.INTERACT [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.LOCAL [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.MINIM [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.SCCOR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.SCROT [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.SETUP [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.SPLITELE [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.TIME1 [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.TORCNSTR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.TORSION [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.TORSION.org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.VECTORS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/include_unres/COMMON.WEIGHTS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/initialize.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/initialize.f_org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/initialize_p.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/int_from_cart1.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/intcor.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/iperm.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/log [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/main_clust.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/matmult.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/misc.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/noyes.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/oligomer.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/parmread.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/permut.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/pinorm.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/printmat.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/probabl.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/proc_proc.c [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/read_constr_homology.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/read_coords.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/read_ref_str.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/readpdb.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/readpdb.f.safe [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/readrtns.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/refsys.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/rescode.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/rmscalc.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/rmsnat.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/seq2chains.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/setup_var.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/sizesclu.dat [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/srtclust.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/ssMD.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/timing.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/track.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/work_partition.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/wrtclust.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS-homology/xdrf [new symlink] blob
UNRESPACK 3.x