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(parent: d0bc9ab) | patch
Added src_MD-M-newcorr (Adasko's source) and src-NEWSC of WHAM (with Momo's SCSC...
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Tue, 15 Apr 2014 12:03:14 +0000 (14:03 +0200)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Tue, 15 Apr 2014 12:03:14 +0000 (14:03 +0200)
commite74a1da46f47c86b0c46679481b757c425642977
tree0724e6e740349682640dd07f6bb862cb04303326tree | snapshot
parentd0bc9ab44e8f75f5cb92a01cda9daba97791e379commit | diff
Added src_MD-M-newcorr (Adasko's source) and src-NEWSC of WHAM (with Momo's SCSC potentials)

Conflicts:

bin/unres/MD/unres_mchain-ifort_MPICH_GAB-NEWC.exe
source/wham/src-NEWSC/CMakeLists.txt
source/wham/src-NEWSC/COMMON.ALLPARM
source/wham/src-NEWSC/COMMON.CHAIN
source/wham/src-NEWSC/COMMON.COMPAR
source/wham/src-NEWSC/COMMON.CONTACTS1
source/wham/src-NEWSC/COMMON.CONTROL
source/wham/src-NEWSC/COMMON.CONTROL.org
source/wham/src-NEWSC/COMMON.ENEPS
source/wham/src-NEWSC/COMMON.ENERGIES
source/wham/src-NEWSC/COMMON.FREE
source/wham/src-NEWSC/COMMON.IOUNITS
source/wham/src-NEWSC/COMMON.MPI
source/wham/src-NEWSC/COMMON.OBCINKA
source/wham/src-NEWSC/COMMON.PEPTCONT
source/wham/src-NEWSC/COMMON.PROT
source/wham/src-NEWSC/COMMON.PROTFILES
source/wham/src-NEWSC/COMMON.VAR
source/wham/src-NEWSC/DIMENSIONS
source/wham/src-NEWSC/DIMENSIONS.COMPAR
source/wham/src-NEWSC/DIMENSIONS.FREE
source/wham/src-NEWSC/DIMENSIONS.FREE.old
source/wham/src-NEWSC/DIMENSIONS.ZSCOPT
source/wham/src-NEWSC/Makefile-pgi
source/wham/src-NEWSC/Makefile1_jump
source/wham/src-NEWSC/Makefile_MPICH_ifort
source/wham/src-NEWSC/Makefile_jubl
source/wham/src-NEWSC/Makefile_jump
source/wham/src-NEWSC/Makefile_matrix
source/wham/src-NEWSC/Makefile_matrix_PGI
source/wham/src-NEWSC/Makefile_matrix_PGI-SCT-oldparm
source/wham/src-NEWSC/Makefile_matrix_PGI-SCTF-oldparm
source/wham/src-NEWSC/Makefile_matrix_PGI-oldparm
source/wham/src-NEWSC/angnorm.f
source/wham/src-NEWSC/arcos.f
source/wham/src-NEWSC/bxread.F
source/wham/src-NEWSC/cartder.f
source/wham/src-NEWSC/cartprint.f
source/wham/src-NEWSC/chainbuild.F
source/wham/src-NEWSC/chainbuild.f
source/wham/src-NEWSC/conf_compar.F
source/wham/src-NEWSC/cont_frag.f
source/wham/src-NEWSC/contact.f
source/wham/src-NEWSC/contfunc.f
source/wham/src-NEWSC/cxread.F
source/wham/src-NEWSC/cxread.F.org
source/wham/src-NEWSC/define_pairs.f
source/wham/src-NEWSC/elecont.f
source/wham/src-NEWSC/enecalc1.F
source/wham/src-NEWSC/energy_p_new.F
source/wham/src-NEWSC/energy_p_new.F.org
source/wham/src-NEWSC/fitsq.f
source/wham/src-NEWSC/geomout.F
source/wham/src-NEWSC/gnmr1.f
source/wham/src-NEWSC/icant.f
source/wham/src-NEWSC/include_unres/COMMON.CALC
source/wham/src-NEWSC/include_unres/COMMON.CONTACTS
source/wham/src-NEWSC/include_unres/COMMON.CONTPAR
source/wham/src-NEWSC/include_unres/COMMON.DERIV
source/wham/src-NEWSC/include_unres/COMMON.FFIELD
source/wham/src-NEWSC/include_unres/COMMON.FRAG
source/wham/src-NEWSC/include_unres/COMMON.GEO
source/wham/src-NEWSC/include_unres/COMMON.HEADER
source/wham/src-NEWSC/include_unres/COMMON.INTERACT
source/wham/src-NEWSC/include_unres/COMMON.LOCAL
source/wham/src-NEWSC/include_unres/COMMON.MINIM
source/wham/src-NEWSC/include_unres/COMMON.NAMES
source/wham/src-NEWSC/include_unres/COMMON.SBRIDGE
source/wham/src-NEWSC/include_unres/COMMON.SCCOR
source/wham/src-NEWSC/include_unres/COMMON.SCROT
source/wham/src-NEWSC/include_unres/COMMON.TIME1
source/wham/src-NEWSC/include_unres/COMMON.TORCNSTR
source/wham/src-NEWSC/include_unres/COMMON.TORSION
source/wham/src-NEWSC/include_unres/COMMON.VAR
source/wham/src-NEWSC/include_unres/COMMON.VECTORS
source/wham/src-NEWSC/include_unres/COMMON.WEIGHTS
source/wham/src-NEWSC/initialize_p.F
source/wham/src-NEWSC/initialize_p.F.org
source/wham/src-NEWSC/int_from_cart.f
source/wham/src-NEWSC/intcor.f
source/wham/src-NEWSC/make_ensemble1.F
source/wham/src-NEWSC/match_contact.f
source/wham/src-NEWSC/misc.f
source/wham/src-NEWSC/molread_zs.F
source/wham/src-NEWSC/mygetenv.F
source/wham/src-NEWSC/mysort.f
source/wham/src-NEWSC/odlodc.f
source/wham/src-NEWSC/openunits.F
source/wham/src-NEWSC/parmread.F
source/wham/src-NEWSC/pinorm.f
source/wham/src-NEWSC/printmat.f
source/wham/src-NEWSC/proc_cont.f
source/wham/src-NEWSC/proc_proc.c
source/wham/src-NEWSC/promienie.f
source/wham/src-NEWSC/qwolynes.f
source/wham/src-NEWSC/read_ref_str.F
source/wham/src-NEWSC/readpdb.f
source/wham/src-NEWSC/readrtns.F
source/wham/src-NEWSC/readrtns.F.org
source/wham/src-NEWSC/readrtns_compar.F
source/wham/src-NEWSC/rescode.f
source/wham/src-NEWSC/rmscalc.f
source/wham/src-NEWSC/secondary.f
source/wham/src-NEWSC/setup_var.f
source/wham/src-NEWSC/slices.F
source/wham/src-NEWSC/store_parm.F
source/wham/src-NEWSC/timing.F
source/wham/src-NEWSC/wham_calc1.F
source/wham/src-NEWSC/wham_calc1.F.safe
source/wham/src-NEWSC/wham_multparm.F
source/wham/src-NEWSC/xdrf
source/wham/src-NEWSC/xread.F
242 files changed:
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bin/unres/MD/unres_mchain_ifort_MPICH_E0LL2Y-NEWC.exe [new file with mode: 0755] blob
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source/unres/src_MD-M-newcorr/COMMON.CONTACTS [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.CONTACTS.moment [new file with mode: 0644] blob
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source/unres/src_MD-M-newcorr/COMMON.DISTFIT [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.FFIELD [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.GEO [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.HAIRPIN [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.HEADER [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.INFO [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.INTERACT [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.IOUNITS [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.LANGEVIN [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.LANGEVIN.lang0 [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.LANGEVIN.lang0_ [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.LOCAL [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.LOCMOVE [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.MAP [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.MAXGRAD [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.MCE [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.MCM [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.MD [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.MINIM [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.MUCA [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.NAMES [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.REMD [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.SBRIDGE [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.SCCOR [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.SCROT [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.SETUP [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.SPLITELE [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.THREAD [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.TIME1 [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.TORCNSTR [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.TORSION [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.VAR [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/COMMON.VECTORS [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/DIMENSIONS [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/DIMENSIONS.2100 [new file with mode: 0644] blob
source/unres/src_MD-M-newcorr/DIMENSIONS.4100 [new file with mode: 0644] blob
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source/unres/src_MD-M-newcorr/MD.F [new file with mode: 0644] blob
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source/unres/src_MD-M-newcorr/MREMD.F [new file with mode: 0644] blob
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source/unres/src_MD-M-newcorr/Makefile.tau-mpi-pdt-pgi.org [new file with mode: 0755] blob
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UNRESPACK 3.x