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@ -7,8 +7,13 @@
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- Zero velocities after a restart implemented in CP
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- Nose and damped dynamics for cell implemented
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in FPMD like in CP
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- CP main subroutine simplified
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Various GUI changes (TK)
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Minor ouput fornat change (PG)
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Minor output format change, examples updated (PG)
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DIIS: small bug-fix and general clean-up of the code.
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ionode substituted by meta_ionode (this because in neb and
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smd all images have an ionode, but only one image, the one
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identified by meta_ionode, can check stop). (C.S.)
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8 Sep 2004 configure.old, documentation for configure updated [Gerardo]
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moved install/README.install to README.install_old [Gerardo]
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@ -729,7 +729,7 @@
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! 'default' restart using cell velocity of the previous run
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REAL(dbl) :: press
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! external pressure (in kilobars: 1 kbar = 10^8 Pa)
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! external pressure (in GPa: 1GPa = 10 kbar)
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REAL(dbl) :: wmass
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! effective cell mass in the Parrinello-Rahman Lagrangian (in atomic units)
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