| 2001-07-23 |
lindahl | Migrated to the latest automake & libtool releases... |
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| 2001-07-23 |
lindahl | Fixed several compiler warnings, and a bug in PME that... |
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| 2001-07-14 |
spoel | Added automatic seed generation |
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| 2001-07-14 |
spoel | Rewrote code to avoid bug in gcc wrt inlining |
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| 2001-07-13 |
spoel | Move to old version |
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| 2001-07-13 |
spoel | Restore previous version |
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| 2001-07-12 |
hess | fixed some parallel stuff, but on 2 procs it still... |
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| 2001-07-12 |
hess | removed a print to stderr |
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| 2001-07-12 |
hess | changed an amu to u |
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| 2001-07-12 |
hess | removed unused function zero_shell_forces |
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| 2001-07-12 |
hess | changed time_label to time_unit, added time_label and... |
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| 2001-07-12 |
hess | added margin for -e option in check_times2, removed... |
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| 2001-07-12 |
hess | changed words comparison and value in output to the... |
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| 2001-07-12 |
hess | added -tu |
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| 2001-07-11 |
hess | commented out parameters for multiple dihedrals over... |
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| 2001-07-11 |
hess | removed 4 useless color entries including C2 which... |
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| 2001-07-11 |
hess | added print of the number of steps needed for convergence |
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| 2001-07-11 |
hess | removed an useless check |
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| 2001-07-11 |
lindahl | Initialize pointers to NULL to avoid stupid warning... |
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| 2001-07-11 |
hess | added z-shift |
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| 2001-07-10 |
lindahl | Fixed more compile-time warnings, and changed the exten... |
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| 2001-07-10 |
hess | added -tu |
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| 2001-07-10 |
hess | added radial and lateral kinks |
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| 2001-07-10 |
hess | added kink option |
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| 2001-07-10 |
hess | added a hint for energygrp_excl for freeze groups |
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| 2001-07-10 |
lindahl | Added parantheses to avoid possible compiler errors... |
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| 2001-07-09 |
lindahl | More compiler warning and uncommon error messages fixes |
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| 2001-07-09 |
hess | conjugate gradients now also works in parallel |
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| 2001-07-09 |
lindahl | Fixed compile-time warnings and errors on some platform... |
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| 2001-07-09 |
hess | removed frozen degrees of freedom from f_max and change... |
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| 2001-07-09 |
hess | made low_constrain void and count_constraint now count... |
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| 2001-07-09 |
hess | fixed a crash when one proc has constraints and another not |
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| 2001-07-09 |
lindahl | Reverted to an old makefile - tried to get rid of some... |
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| 2001-07-09 |
hess | added some spaces in front of the fit parameters |
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| 2001-07-08 |
lindahl | Fixed some makefile bugs that yours sincerely introduce... |
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| 2001-07-08 |
lindahl | Added completion scripts |
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| 2001-07-08 |
lindahl | Updated readme-files to reflect directory changes,... |
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| 2001-07-08 |
lindahl | Fixed a minor error in two makefiles.am's |
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| 2001-07-08 |
lindahl | Fixed a bug with fortran shared libraries in libtool, |
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| 2001-07-06 |
lindahl | Created final manual pages, html, and completions for... |
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| 2001-07-05 |
lindahl | Fixed a bug in the sed script that links mpi libs to... |
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| 2001-07-04 |
lindahl | Fixed a couple of minor makefile bugs that gave compile... |
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| 2001-07-04 |
hess | made energy group exclusions a seperate mdp section |
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| 2001-07-03 |
hess | changed (not counted) warning for not enough pcoupl... |
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| 2001-06-29 |
anton | add charges in double precision |
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| 2001-06-29 |
hess | improved fitting weights by using a guessed correlation... |
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| 2001-06-29 |
hess | added a hidden option |
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| 2001-06-28 |
hess | fixed atom numbering in shake error |
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| 2001-06-28 |
lindahl | Reversed the order of the arch and bin dirs - now both... |
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| 2001-06-28 |
lindahl | Changed strsep() to strtok() |
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| 2001-06-28 |
lindahl | Changed rindex function to strrchr to make it compile... |
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| 2001-06-28 |
lindahl | Updated and cleaned automakefiles, and switched to... |
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| 2001-06-27 |
hess | added a note on tau_t for sd |
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| 2001-06-27 |
anton | added description for -tu |
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| 2001-06-27 |
hess | fixed a bug in the -xpma option |
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| 2001-06-27 |
hess | added options to dump the covariance matrix to xpm |
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| 2001-06-27 |
hess | removed diagnostics |
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| 2001-06-27 |
hess | really fixed the bug mentioned in the previous commit... |
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| 2001-06-27 |
hess | fixed x, y and z diffusion (already wrong i n gmx2... |
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| 2001-06-27 |
hess | fixed missing string termination when using ! |
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| 2001-06-22 |
lindahl | Updated makefiles due to the move of directories, and... |
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| 2001-06-22 |
lindahl | Removing an old obsolete directory |
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| 2001-06-22 |
lindahl | Removing the scripts directory - things are moved to... |
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| 2001-06-22 |
lindahl | Moved scripts and admin stuff from contrib to separate... |
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| 2001-06-20 |
spoel | Minor bugfix |
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| 2001-06-20 |
hess | added two parentheses |
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| 2001-06-20 |
anton | fixed bug |
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| 2001-06-20 |
lindahl | Converted assembly to use gcc instead of nasm, updated... |
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| 2001-06-20 |
hess | added check for pulling in parallel |
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| 2001-06-19 |
hess | added options.c to generate the options html and tex... |
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| 2001-06-18 |
hess | added matrix inversion routine m_inv_gen, which can... |
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| 2001-06-15 |
hess | added fatal_error when perturbing dih. multiplicities |
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| 2001-06-15 |
anton | +3 |
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| 2001-06-15 |
hess | fixed gd_17 force constant, which anton copied from... |
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| 2001-06-15 |
hess | removed unused bConstrain option |
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| 2001-06-14 |
hess | added hidden option -sepdvdl to mdrun |
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| 2001-06-14 |
anton | fixed setting default time unit |
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| 2001-06-14 |
anton | fixed check of index groups; slighltly more verbose... |
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| 2001-06-14 |
anton | fixed manpage; changed do_view to view_all |
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| 2001-06-14 |
anton | added -tu |
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| 2001-06-13 |
hess | fixed incorrect mdp comment for pbc |
commit | commitdiff | tree | snapshot |
| 2001-06-12 |
hess | non-file option descriptions may now contain formatting... |
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| 2001-06-12 |
hess | fixed some manual formatting |
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| 2001-06-11 |
hess | changed enum options to typewriter font |
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| 2001-06-11 |
hess | commit of changes by Peter Tieleman, not sure if the... |
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| 2001-06-11 |
hess | fixed some bugs, scripts should actually work now |
commit | commitdiff | tree | snapshot |
| 2001-06-01 |
hess | added a decimal in the description |
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| 2001-06-01 |
hess | added a paragraph on how to convert truncated octahedro... |
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| 2001-06-01 |
hess | fixed ekrot, which was a factor 2 to high |
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| 2001-05-31 |
spoel | Fixed bug! |
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| 2001-05-29 |
hess | triclinic representation can now also be turned on... |
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| 2001-05-29 |
spoel | Fixed all bugs... |
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| 2001-05-28 |
spoel | Fixed a SEGV and a forgotten if |
commit | commitdiff | tree | snapshot |
| 2001-05-28 |
spoel | Updated function call that was missing an argument. |
commit | commitdiff | tree | snapshot |
| 2001-05-28 |
spoel | Added warning about th euse of combination rules in... |
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| 2001-05-24 |
spoel | Fixed bug in freeing at_c (init_lincs) |
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| 2001-05-23 |
anton | small fix |
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| 2001-05-23 |
anton | added -combine to add, subtract, multiply or divide... |
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| 2001-05-23 |
anton | added -split to split trajectory into equal-timed chunks |
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| 2001-05-23 |
anton | added $GMXTIMEUNIT to set default time unit; defaults... |
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biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog