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ERROR in %s at %d: %s ../sources/Bending.cppInvalid p valueTwo or more identical particlesParticle not foundParticles too closevector::_M_fill_insert../sources/Coulomb.cppIdentical particles../sources/Gravity.cpp../sources/Harmonic.cpp../sources/LennardJones.cppwtError opening stdout filename ! Error opening stderr filename ! 3D model view Dynamical simulation has finished: End time: %.20le Taking a snapshot: Current time: %.20le The current potential energy of system: %.20le The current kinetic energy of system: %.20le The current temperature of the system: %.20le The current pressure of the system: %.20le The average potential energy of system: %.20le The average kinetic energy of system: %.20le The average temperature of the system: %.20le The average pressure of the system: %.20le The density of system: %.20le Total mass of system: %.20le Total charge of system: %.20le Center of mass of system: [%.20le,%.20le,%.20le] Dipole moment of system: [%.20le,%.20le,%.20le] Mean of distance squared of system: %.20le Error writing to file '%s' !! Error reading inputfile '%s' in line %d ! There is nothing to do for the program ! Starting the conformational search: Max number of steps: %d Max step size: %.20le Max error for convergence: %.20le Total potential energy of system at start of search: %.20le Mean of distance squared of system at start of search: %.20le Conformation searcher stopped at itteration: %d Total potential energy of system: %.20le Error writing to file '%s'!! Starting the dynamical simulation: Periodic box: [%.20le,%.20le,%.20le] Single cell: [%.20le,%.20le,%.20le] Start time: %.20le Max time step: %.20le Number of automatic snapshots to take in this run: %u Max error in conservation of total energy: %.20le The boltzmann constant: %.20le The temperature will be initialized to: %.20le The temperature will be kept constant at: %.20le The temperature rescaling time: %.20le The temperature random momenta factor: %.20le The temperature center of mass removal factor: %.20le The temperature langevin gamma factor: %.20le classical.inclassical.out../sources/Morse.cppparticle interaction color dynamics conformation translate scale rotate box temperature constrain distance coulomb gravity harmonic rydberg morse lennardjones bending torsional f=%.20le f=%.20le r0=%.20le f=%.20le r0=%.20le exp=%.20le a1=%.20le a2=%.20le a3=%.20le f=%.20le r0=%.20le exp=%.20le fcos=%.20le rad=%.20le n=%d f=%.20le rad=%.20le r=%.20le tol=%.20le maxstep=%u rt# end of dataa# the color table color id=%u rgb=[%.20le,%.20le,%.20le] # the box statement box periodic=[%.20le,%.20le,%.20le] box cell=[%.20le,%.20le,%.20le] # all the particles particle r=%.20le m=%.20le q=%.20le x=[%.20le,%.20le,%.20le] p=[%.20le,%.20le,%.20le] c=%d id=%u # all the interactions %u } # all the constraints constrain %sid=%u %s { # conformation search statement # conformation n=%u maxstep=%.20le error=%.20le # conformation search statement conformation n=%u maxstep=%.20le error=%.20le # if needed, setup the initial temperature temperature k=%.20le initial=%.20le %s rmf=%.20le%s cmrf=%.20le%s gamma=%.20le%s tau=%.20le# keep the temperature constant temperature k=%.20le constant=%.20le%s # dynamics statement # dynamics t=%.20le dt=%.20le tend=%.20le error=%.20le snapshots=%u # dynamics statement dynamics t=%.20le dt=%.20le tend=%.20le error=%.20le snapshots=%u # end of data interaction %sid=%u %s { id %u toallperiodiccell [ %lf , %lf , %lf ] %d rgb %lf kinitialconstanttaurmfgammacmrfraddegaxisxyznerrormaxstepdtttendsnapshotssppsmqrcffcosr0expa1a2a3../sources/Rydberg.cpp../sources/Torsional.cpp7[ , ] [ %lf , %lf , %lfprintf%s = %08x%08x (%1.8e) exponent = %d exponent of ulp = %d fprintfglutSetWindow attempted on bogus window.out of memory.%s:%u: failed assertion `%s' glut_win.c!__glutDisplayStringGLX_SGIS_multisampleThe following is a new check for GLUT 3.0; update your code.redisplay needed for window %d, but no display callback.__glutDetermineVisualFromStringcannot create windows in game mode.visual with necessary capabilities not found.failed to create OpenGL rendering context.direct rendering not possible.destroying menu window not allowed while menus in useNULL display callback not allowed in GLUT 3.0; update your code.glut_event.cwindow != __glutWindowWorkListselect error.(workMask & GLUT_DUMMY_WORK) == 0main loop entered with out proper initialization.main loop entered with no windows created.could not open display: %sOpenGL GLX extension not supported by display: %sWM_DELETE_WINDOWglutInit being called a second time.-displayfollow -display option with X display name.-geometryfollow -geometry option with geometry parameter.-directcannot force both direct and indirect rendering.-indirect-iconic-gldebug-syncsprintfsscanfERREUR: %d is not a valid value in s_scs_sin ERREUR: %d is not a valid value in s_cos $LDBL128libSystem.not in game mode so cannot leave game mode=>parentWM_COLORMAP_WINDOWSCould not intern X atom for WM_COLORMAP_WINDOWS.XSetWMColormapWindows returned False.SERVER_OVERLAY_VISUALS18BendingInteraction26HarmonicBendingInteraction17ClassicalDynamics15ClassicalStates10Constraint18CoulombInteraction27FiniteDifferenceInteraction36FiniteDifferencePointPairInteraction34FiniteDifferenceBendingInteraction36FiniteDifferenceTorsionalInteraction24GravitationalInteraction19HarmonicInteraction11Interaction16LangevinDynamics23LennardJonesInteraction18MyLangevinDynamics16MorseInteraction14NewtonDynamics8Particle20PointPairInteraction18DistanceConstraint18RydbergInteraction15SteepestDescent20TorsionalInteraction28PeriodicTorsionalInteraction||}x|#x!A(K,ɾ$8١@Ɂ8@ٝ,$8!`x|N cT:|c"N |B|~x!<_=?B9)|9)8B#CKH@9>^ |~xA8B@i/AK1xK8~^A8B@c/AK8!Px|K|B|~x!<_=?B9)9)8B#CKH@9>^ |~xA8B@i/AKixK!8^~A8c@b/A8!P|K 8!P|N |B|~x!<_=?B9)9)8B#CK H@9>^ |~xA8B@i/AK̕xKM8^~A8c@b/A8!P|KL8!P|N |B|~x!<_=?B9) 9)8B#CK5H@9>^ |~xA8B@i/AKxKy8~^A8B@c/AKˉ8!Px|Kp|B|}x8`$!Kmx|~xKH|}xxK1xK<_8!P8BDx8B^|N |B8`$|#x|+x!Kx|~xxKH|}xxKʹxKq<_8 8BԐ 8B8!P^x|N 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