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

2024-08-02	czarek	Merge branch 'master' of mmka.chem.univ.gda.pl:unres master	commit \| commitdiff \| tree \| snapshot
2024-06-04	czarek	Merge branch 'master' of mmka.chem.univ.gda.pl:/unres	commit \| commitdiff \| tree \| snapshot
2017-09-25	Cezary Czaplewski	changelog	commit \| commitdiff \| tree \| snapshot
2017-09-25	Cezary Czaplewski	changelog	commit \| commitdiff \| tree \| snapshot
2017-09-25	Cezary Czaplewski	Merge branch 'prerelease-3.2.1'	commit \| commitdiff \| tree \| snapshot
2017-09-25	Cezary Czaplewski	Merge branch 'prerelease-3.2.1'	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	gfortran segmentation fault checkgrad cart src_MD-M	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	gfortran segmentation fault checkgrad cart src_MD-M	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	gfortran segmentation fault checkgrad cart	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	gfortran segmentation fault checkgrad cart	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	ctest correction to the last commit	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	ctest correction to the last commit	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	ctest gfortran mpi correction	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	ctest gfortran mpi correction	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	ctest - more checkgrad tests added	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	ctest - more checkgrad tests added	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	checkgrad added to ctest	commit \| commitdiff \| tree \| snapshot
2017-02-27	Cezary Czaplewski	checkgrad added to ctest	commit \| commitdiff \| tree \| snapshot
2017-02-22	Cezary Czaplewski	numerical gradient delta 10e-4	commit \| commitdiff \| tree \| snapshot
2017-02-22	Cezary Czaplewski	numerical gradient delta 10e-4	commit \| commitdiff \| tree \| snapshot
2016-06-20	Cezary Czaplewski	cmake multichain wham cluster_wham -mcmodel=medium	commit \| commitdiff \| tree \| snapshot
2016-06-20	Cezary Czaplewski	cmake multichain wham cluster_wham -mcmodel=medium	commit \| commitdiff \| tree \| snapshot
2016-05-26	Cezary Czaplewski	cmake and ctest corrections for mpi and srun	commit \| commitdiff \| tree \| snapshot
2016-05-26	Cezary Czaplewski	cmake and ctest corrections for mpi and srun	commit \| commitdiff \| tree \| snapshot
2016-05-17	Cezary Czaplewski	cmake changes for pgf90	commit \| commitdiff \| tree \| snapshot
2016-05-17	Cezary Czaplewski	cmake changes for pgf90	commit \| commitdiff \| tree \| snapshot
2016-05-15	Pawel Krupa	Small fixes in dimensions for memory in piasek.	commit \| commitdiff \| tree \| snapshot
2016-05-15	Pawel Krupa	Small fixes in dimensions for memory in piasek.	commit \| commitdiff \| tree \| snapshot
2016-05-15	Pawel Krupa	Cluster-M structure and maximum residue changes.	commit \| commitdiff \| tree \| snapshot
2016-05-15	Pawel Krupa	Cluster-M structure and maximum residue changes.	commit \| commitdiff \| tree \| snapshot
2016-05-15	Pawel Krupa	Extended maximum residue number and number of temperatures.	commit \| commitdiff \| tree \| snapshot
2016-05-15	Pawel Krupa	Extended maximum residue number and number of temperatures.	commit \| commitdiff \| tree \| snapshot
2016-05-14	Pawel Krupa	Memory overflow correction.	commit \| commitdiff \| tree \| snapshot
2016-05-14	Pawel Krupa	Memory overflow correction.	commit \| commitdiff \| tree \| snapshot
2016-05-14	Pawel Krupa	Number of temperatures in WHAM changed from 32 to 36...	commit \| commitdiff \| tree \| snapshot
2016-05-14	Pawel Krupa	Number of temperatures in WHAM changed from 32 to 36...	commit \| commitdiff \| tree \| snapshot
2016-04-28	Cezary Czaplewski	ctest -DUNRES_MPIRUN=1 for tryton	commit \| commitdiff \| tree \| snapshot
2016-04-28	Cezary Czaplewski	ctest -DUNRES_MPIRUN=1 for tryton	commit \| commitdiff \| tree \| snapshot
2016-04-28	Cezary Czaplewski	cmake -mcmodel=medium for gfortran wham and cluster_wham	commit \| commitdiff \| tree \| snapshot
2016-04-28	Cezary Czaplewski	cmake -mcmodel=medium for gfortran wham and cluster_wham	commit \| commitdiff \| tree \| snapshot
2016-04-27	Cezary Czaplewski	ctest for empty stat files	commit \| commitdiff \| tree \| snapshot
2016-04-27	Cezary Czaplewski	ctest for empty stat files	commit \| commitdiff \| tree \| snapshot
2016-04-27	Pawel Krupa	Addition to the last commit.	commit \| commitdiff \| tree \| snapshot
2016-04-27	Pawel Krupa	Addition to the last commit.	commit \| commitdiff \| tree \| snapshot
2016-04-27	Pawel Krupa	Added maxlik potentials for CASP12 and protein dimensio...	commit \| commitdiff \| tree \| snapshot
2016-04-27	Pawel Krupa	Added maxlik potentials for CASP12 and protein dimensio...	commit \| commitdiff \| tree \| snapshot
2016-04-27	Cezary Czaplewski	ctest relax test criteria	commit \| commitdiff \| tree \| snapshot
2016-04-27	Cezary Czaplewski	ctest relax test criteria	commit \| commitdiff \| tree \| snapshot
2016-04-25	Cezary Czaplewski	AIX xdrfint_	commit \| commitdiff \| tree \| snapshot
2016-04-25	Cezary Czaplewski	AIX xdrfint_	commit \| commitdiff \| tree \| snapshot
2016-04-25	Cezary Czaplewski	ctest correct path for xdrf2* tools	commit \| commitdiff \| tree \| snapshot
2016-04-25	Cezary Czaplewski	ctest correct path for xdrf2* tools	commit \| commitdiff \| tree \| snapshot
2016-04-25	Cezary Czaplewski	ctest on cray with srun all tests	commit \| commitdiff \| tree \| snapshot
2016-04-25	Cezary Czaplewski	ctest on cray with srun all tests	commit \| commitdiff \| tree \| snapshot
2016-04-25	Cezary Czaplewski	ctest on cray with srun	commit \| commitdiff \| tree \| snapshot
2016-04-25	Cezary Czaplewski	ctest on cray with srun	commit \| commitdiff \| tree \| snapshot
2016-04-22	Cezary Czaplewski	ctest csa for E0LL2Y	commit \| commitdiff \| tree \| snapshot
2016-04-22	Cezary Czaplewski	ctest csa for E0LL2Y	commit \| commitdiff \| tree \| snapshot
2016-04-18	Cezary Czaplewski	ctest works with lam mpi	commit \| commitdiff \| tree \| snapshot
2016-04-18	Cezary Czaplewski	ctest works with lam mpi	commit \| commitdiff \| tree \| snapshot
2016-04-01	Cezary Czaplewski	first and last GLY in seq gives correct energy in unres...	commit \| commitdiff \| tree \| snapshot
2016-04-01	Cezary Czaplewski	first and last GLY in seq gives correct energy in unres...	commit \| commitdiff \| tree \| snapshot
2016-04-01	Cezary Czaplewski	1st GLY in seq gives correct energy in unres and wham	commit \| commitdiff \| tree \| snapshot
2016-04-01	Cezary Czaplewski	1st GLY in seq gives correct energy in unres and wham	commit \| commitdiff \| tree \| snapshot
2016-03-24	Cezary Czaplewski	ctest the first static disulfide test ene/min cart	commit \| commitdiff \| tree \| snapshot
2016-03-24	Cezary Czaplewski	ctest the first static disulfide test ene/min cart	commit \| commitdiff \| tree \| snapshot
2016-03-24	Cezary Czaplewski	cluster_wham src-M agrees with src for single chain	commit \| commitdiff \| tree \| snapshot
2016-03-24	Cezary Czaplewski	cluster_wham src-M agrees with src for single chain	commit \| commitdiff \| tree \| snapshot
2016-03-24	Cezary Czaplewski	ctest wham and cluster_wham correction	commit \| commitdiff \| tree \| snapshot
2016-03-24	Cezary Czaplewski	ctest wham and cluster_wham correction	commit \| commitdiff \| tree \| snapshot
2016-03-23	Cezary Czaplewski	wham & cluster_wham energy correction to match unres...	commit \| commitdiff \| tree \| snapshot
2016-03-23	Cezary Czaplewski	wham & cluster_wham energy correction to match unres...	commit \| commitdiff \| tree \| snapshot
2016-03-23	Cezary Czaplewski	wham thermal format $ correction for gfortran	commit \| commitdiff \| tree \| snapshot
2016-03-23	Cezary Czaplewski	wham thermal format $ correction for gfortran	commit \| commitdiff \| tree \| snapshot
2016-03-23	Cezary Czaplewski	ctest microcanoninal energy fluctuations limits adjusted	commit \| commitdiff \| tree \| snapshot
2016-03-23	Cezary Czaplewski	ctest microcanoninal energy fluctuations limits adjusted	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	imax0 replaced with max0	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	imax0 replaced with max0	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	ctest wham checks energy differs	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	ctest wham checks energy differs	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	ctest multichain protein-peptide complex	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	ctest multichain protein-peptide complex	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	energy_dec for esccor and some other debug printout	commit \| commitdiff \| tree \| snapshot
2016-03-22	Cezary Czaplewski	energy_dec for esccor and some other debug printout	commit \| commitdiff \| tree \| snapshot
2016-03-18	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2016-03-18	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2016-03-18	Cezary Czaplewski	arcos = 0.5D0(PI-DSIGN(1.0D0,X)PI)	commit \| commitdiff \| tree \| snapshot
2016-03-18	Cezary Czaplewski	arcos = 0.5D0(PI-DSIGN(1.0D0,X)PI)	commit \| commitdiff \| tree \| snapshot
2016-03-17	Cezary Czaplewski	Adam's corrections to wham from homology branch	commit \| commitdiff \| tree \| snapshot
2016-03-17	Cezary Czaplewski	Adam's corrections to wham from homology branch	commit \| commitdiff \| tree \| snapshot
2016-03-15	Cezary Czaplewski	src_MIN sum_gradient from src_MD	commit \| commitdiff \| tree \| snapshot
2016-03-15	Cezary Czaplewski	src_MIN sum_gradient from src_MD	commit \| commitdiff \| tree \| snapshot
2016-03-15	Cezary Czaplewski	nosearchsc in src_MIN as in other versions	commit \| commitdiff \| tree \| snapshot
2016-03-15	Cezary Czaplewski	nosearchsc in src_MIN as in other versions	commit \| commitdiff \| tree \| snapshot
2016-03-15	Cezary Czaplewski	src_MIN eback_sc_corr do intertyp=1,3	commit \| commitdiff \| tree \| snapshot
2016-03-15	Cezary Czaplewski	src_MIN eback_sc_corr do intertyp=1,3	commit \| commitdiff \| tree \| snapshot
2016-03-15	Cezary Czaplewski	ctest added ene tests with FGPROCS=1	commit \| commitdiff \| tree \| snapshot
2016-03-15	Cezary Czaplewski	ctest added ene tests with FGPROCS=1	commit \| commitdiff \| tree \| snapshot
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