ctest unres
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sun, 15 Mar 2020 10:04:46 +0000 (11:04 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sun, 15 Mar 2020 10:04:46 +0000 (11:04 +0100)
commitf8c7c4a0011854fd4155f761d87f931150f0cc3c
tree56d58859f9d7c2e2fe8c8d77f3ac46c596617bdf
parent514acc24918965ea0210f5445224d7e48fcf5042
ctest unres
200 files changed:
CMakeLists.txt
source/unres/src_MD-M-SAXS-homology/CMakeLists.txt [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.BANK [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.BOUNDS [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.CACHE [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.CALC [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.CHAIN [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.CONTACTS [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.CONTACTS.moment [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.CONTROL [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.CSA [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.DBASE [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.DERIV [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.DFA [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.DISTFIT [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.FFIELD [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.GEO [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.HAIRPIN [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.HEADER [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.INFO [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.INTERACT [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.IOUNITS [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.LANGEVIN [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.LANGEVIN.lang0 [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.LANGEVIN.lang0_ [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.LOCAL [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.LOCMOVE [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.MAP [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.MAXGRAD [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.MCE [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.MCM [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.MD [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.MINIM [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.MUCA [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.NAMES [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.PMF [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.REMD [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.SBRIDGE [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.SCCOR [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.SCROT [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.SETUP [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.SHIELD [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.SPLITELE [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.THREAD [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.TIME1 [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.TORCNSTR [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.TORSION [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.VAR [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/COMMON.VECTORS [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/DIMENSIONS [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/DIMENSIONS.2100 [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/DIMENSIONS.4100 [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/DIMENSIONS.PMF [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/MD_A-MTS.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/MP.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/MREMD-permut.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/MREMD.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/MREMD.F.drabinka [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/MREMD_nosy1traj.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile [new symlink]
source/unres/src_MD-M-SAXS-homology/Makefile-okeanos [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile.old [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_gfortran [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_ifort [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_ifort-okeanos [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_ifort-prometheus [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_pgf90 [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile_bluegene [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile_single_gfortran [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/Makefile_single_ifort [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/PMFprocess.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/README [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/TAU [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/TAU_setup.sh [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/WHAM_q-single.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/add.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/arcos.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/banach.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/bank.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/blas.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/bond_move.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/brown_step.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/cartder.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/cartprint.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/chain_symmetry.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/chainbuild.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/check_bond.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/check_sc_distr.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/check_sc_map.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/checkder_p.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/checkvar.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/common.size [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/common.size.orig [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/compare_s1.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/compinfo.c [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/contact.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/convert.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/cored.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/csa.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/deconstrq_num.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/dfa.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/diff12.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/dihed_cons.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/distfit.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/djacob.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/econstr_local.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/econstr_qlike.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/econstrq-PMF.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/econstrq.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/ecorr_num.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/eelec.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/eelecij.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/eelecij_scale.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/eigen.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/elecont.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/energy_p_new-sep.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/energy_p_new-sep_barrier.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/energy_p_new_barrier.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/energy_p_new_barrier.F.orig [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/energy_split-sep.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/entmcm.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/fitsq.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/gauss.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/gen_rand_conf.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/geomout.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/gnmr1.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/gradient_p.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/indexx.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/initialize_p.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/int_to_cart.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/intcartderiv.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/intcor.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/intlocal.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/iperm.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/isnan.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/kinetic_lesyng.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/lagrangian_lesyng.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/lista.txt [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/local_move.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/map.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/matmult.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/mc.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/mcm.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/minim_jlee.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/minim_mcmf.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/minimize_p.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/misc.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/moments.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/muca_md.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/mygauss.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/newconf.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/parmread.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/permut.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/permut.F.old [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/pinorm.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/printmat.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/prng_32.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/proc_proc.c [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/q_measure-02.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/q_measure.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/q_measure1.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/q_measure3.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/ran.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/randgens.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/random_multi_chain/cont.unr [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/random_multi_chain/ext_mono.pdb [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/random_multi_chain/ext_sing.pdb [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/random_multi_chain/fort.4 [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/random_multi_chain/output.pdb [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/random_multi_chain/random.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/random_multi_chain/toggle [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/rattle.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/readpdb.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/readrtns_CSA.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/refsys.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/regularize.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/rescode.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/restbin2asc.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/rmdd.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/rmscalc.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/rmsd.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/sc_move.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/select.tau [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/seq2chains.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/shift.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/sizes.i [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/sort.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/ssMD.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/stochfric.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/sumsld.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/surfatom.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/tau.options [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/test.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/thermo_length.f [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/thread.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/timing.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/together.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/unres.F [new file with mode: 0644]
source/unres/src_MD-M-SAXS-homology/xdrf [new symlink]
source/wham/src-M-SAXS-homology/CMakeLists.txt