mmka.chem.univ.gda.pl Git - unres.git/commit

author	Cezary Czaplewski <czarek@chem.univ.gda.pl>
	Sat, 14 Mar 2020 08:09:09 +0000 (09:09 +0100)
committer	Cezary Czaplewski <czarek@chem.univ.gda.pl>
	Sat, 14 Mar 2020 08:09:09 +0000 (09:09 +0100)
commit	c711143ad3fffb04d27b55aa823f399b8343c4c5
tree	b467a1da8addda6780637cd53e89bc57d4dd0b1e	tree \| snapshot
parent	76ef494efde78d2d85d0e72d936c13166961256c	commit \| diff

adam's update

49 files changed:

source/unres/src-HCD-5D/COMMON.CONTACTS		diff \| blob \| history
source/unres/src-HCD-5D/COMMON.CONTMAT	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/COMMON.CORRMAT	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/COMMON.DERIV		diff \| blob \| history
source/unres/src-HCD-5D/COMMON.DISTFIT		diff \| blob \| history
source/unres/src-HCD-5D/COMMON.FRAG	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/COMMON.VAR		diff \| blob \| history
source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos		diff \| blob \| history
source/unres/src-HCD-5D/TODO.AFTER.CASP14	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/cart2intgrad.F	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/cartder.F		diff \| blob \| history
source/unres/src-HCD-5D/check_cartgrad.F	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/checkder_p.F		diff \| blob \| history
source/unres/src-HCD-5D/contact_cp.F	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/elecont.f		diff \| blob \| history
source/unres/src-HCD-5D/energy_p_new-sep_barrier.F		diff \| blob \| history
source/unres/src-HCD-5D/energy_p_new_barrier.F		diff \| blob \| history
source/unres/src-HCD-5D/energy_split-sep.F		diff \| blob \| history
source/unres/src-HCD-5D/geomout.F		diff \| blob \| history
source/unres/src-HCD-5D/gradient_p.F		diff \| blob \| history
source/unres/src-HCD-5D/gradient_p.F.new	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/gradient_p.F.org	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/gradient_p.F.org.debug	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/initialize_p.F		diff \| blob \| history
source/unres/src-HCD-5D/lbfgs.F		diff \| blob \| history
source/unres/src-HCD-5D/map.F	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/minim_jlee.F		diff \| blob \| history
source/unres/src-HCD-5D/minim_mcmf.F		diff \| blob \| history
source/unres/src-HCD-5D/minimize_p.F		diff \| blob \| history
source/unres/src-HCD-5D/newconf.f		diff \| blob \| history
source/unres/src-HCD-5D/optsave_dum.f	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/parmread.F		diff \| blob \| history
source/unres/src-HCD-5D/readpdb.F		diff \| blob \| history
source/unres/src-HCD-5D/readrtns_CSA.F		diff \| blob \| history
source/unres/src-HCD-5D/sc_minimize.F	[new file with mode: 0644]	blob
source/unres/src-HCD-5D/sc_move.F		diff \| blob \| history
source/unres/src-HCD-5D/search.f		diff \| blob \| history
source/unres/src-HCD-5D/test.F		diff \| blob \| history
source/unres/src-HCD-5D/unres.F		diff \| blob \| history
source/unres/src-HCD-5D/xdrf	[new symlink]	blob
source/unres/src-HCD-5D/xdrf/CMakeLists.txt	[deleted file]	blob \| history
source/unres/src-HCD-5D/xdrf/Makefile	[deleted file]	blob \| history
source/unres/src-HCD-5D/xdrf/Makefile_jubl	[deleted file]	blob \| history
source/unres/src-HCD-5D/xdrf/Makefile_linux	[deleted file]	blob \| history
source/unres/src-HCD-5D/xdrf/RS6K.m4	[deleted file]	blob \| history
source/unres/src-HCD-5D/xdrf/ftocstr.c	[deleted file]	blob \| history
source/unres/src-HCD-5D/xdrf/libxdrf.m4	[deleted file]	blob \| history
source/unres/src-HCD-5D/xdrf/underscore.m4	[deleted file]	blob \| history
source/unres/src-HCD-5D/xdrf/xdrf.h	[deleted file]	blob \| history

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