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(parent: 46550d9) | patch
ctest wham
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Sun, 15 Mar 2020 00:34:35 +0000 (01:34 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Sun, 15 Mar 2020 00:34:35 +0000 (01:34 +0100)
commitbc76b87e4047a43ab05ddda45eb2dc1eae401410
tree4658df19fa68f2b4bcaa0b193cf53825f6d19555tree | snapshot
parent46550d9847a95ae5513cdc7ffc307baf7a897b9ccommit | diff
ctest wham
136 files changed:
CMakeLists.txt diff | blob | history
ctest/dfa/wham_check.sh [changed mode: 0644->0755] blob | history
source/wham/src-M-SAXS-homology/CMakeLists.txt [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.ALLPARM [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.CHAIN [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.COMPAR [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.CONTACTS1 [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.CONTROL [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.CONTROL.org [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.DFA [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.ENEPS [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.ENERGIES [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.FREE [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.HOMOLOGY [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.HOMRESTR [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.IOUNITS [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.LANGEVIN [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.MPI [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.OBCINKA [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.PEPTCONT [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.PMF [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.PROT [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.PROTFILES [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.SAXS [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.SHIELD [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.SPLITELE [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/COMMON.VAR [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/DIMENSIONS [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/DIMENSIONS.COMPAR [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/DIMENSIONS.FREE [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/DIMENSIONS.FREE.old [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/DIMENSIONS.ZSCOPT [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/Makefile [new symlink] blob
source/wham/src-M-SAXS-homology/Makefile-okeanos [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/Makefile_MPICH_ifort [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/Makefile_MPICH_ifort-okeanos [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/Makefile_MPICH_ifort-prometheus [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/Makefile_MPICH_pgi [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/PMFprocess.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/angnorm.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/arcos.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/bxread.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/cartder.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/cartprint.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/chain_symmetry.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/chainbuild.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/compinfo.c [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/conf_compar.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/cont_frag.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/contact.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/contfunc.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/cxread.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/cxread.F.org [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/define_pairs.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/dfa.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/elecont.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/enecalc1.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/energy_p_new.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/energy_p_new.F.org [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/fitsq.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/geomout.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/gnmr1.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/icant.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.CALC [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.CONTACTS [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.CONTPAR [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.DERIV [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.DERIV_safe [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.FFIELD [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.FRAG [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.GEO [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.HEADER [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.INTERACT [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.LOCAL [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.MINIM [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.NAMES [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.SBRIDGE [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.SCCOR [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.SCROT [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.SETUP [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.TIME1 [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.TORCNSTR [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.TORSION [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.TORSION.safe [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.TOTSION_safe [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.VECTORS [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/include_unres/COMMON.WEIGHTS [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/initialize_p.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/initialize_p.F.org [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/int_from_cart.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/intcor.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/iperm.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/make_ensemble1.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/match_contact.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/matmult.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/misc.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/molread_zs.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/mygetenv.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/mysort.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/odlodc.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/oligomer.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/openunits.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/parmread.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/parmread.F.safe [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/permut.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/pinorm.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/printmat.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/proc_cont.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/proc_proc.c [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/promienie.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/qwolynes.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/read_constr_homology.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/read_dist_constr.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/read_ref_str.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/readpdb.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/readrtns.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/readrtns.F.org [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/readrtns_compar.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/refsys.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/rescode.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/rmscalc.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/scr [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/secondary.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/seq2chains.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/setup_var.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/slices.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/ssMD.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/store_parm.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/testseqchains.f [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/timing.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/timing.F.org [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/wham_calc1.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/wham_calc1.F.safe [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/wham_multparm.F [new file with mode: 0644] blob
source/wham/src-M-SAXS-homology/xdrf [new symlink] blob
source/wham/src-M-SAXS-homology/xread.F [new file with mode: 0644] blob
UNRESPACK 3.x