Section RESTART_AVERAGES

• Stores information for restarting averages.  [Edit on GitHub]

• Section path: CP2K_INPUT / MOTION / MD / AVERAGES / RESTART_AVERAGES

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • AVEALPHA
  • AVEBETA
  • AVECELL_A
  • AVECELL_B
  • AVECELL_C
  • AVECPU
  • AVEGAMMA
  • AVEHUGONIOT
  • AVEKIN
  • AVEKIN_QM
  • AVEPOT
  • AVETEMP
  • AVETEMP_BARO
  • AVETEMP_QM
  • AVEVOL
  • AVE_COLVARS
  • AVE_ECONS
  • AVE_MMATRIX
  • AVE_PRESS
  • AVE_PV_CNSTR
  • AVE_PV_FOCK_4C
  • AVE_PV_KIN
  • AVE_PV_TOT
  • AVE_PV_VIR
  • AVE_PV_XC
  • AVE_PXX
  • ITIMES_START

• Keyword descriptions

  AVEALPHA
  	AVEALPHA {Real}
  	ALPHA cell angle average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVEBETA
  	AVEBETA {Real}
  	BETA cell angle average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVECELL_A
  	AVECELL_A {Real}
  	CELL VECTOR A average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVECELL_B
  	AVECELL_B {Real}
  	CELL VECTOR B average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVECELL_C
  	AVECELL_C {Real}
  	CELL VECTOR C average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVECPU
  	AVECPU {Real}
  	CPU average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVEGAMMA
  	AVEGAMMA {Real}
  	GAMMA cell angle average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVEHUGONIOT
  	AVEHUGONIOT {Real}
  	HUGONIOT average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVEKIN
  	AVEKIN {Real}
  	KINETIC ENERGY average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVEKIN_QM
  	AVEKIN_QM {Real}
  	QM KINETIC ENERGY average in QMMM runs  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVEPOT
  	AVEPOT {Real}
  	POTENTIAL ENERGY average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVETEMP
  	AVETEMP {Real}
  	TEMPERATURE average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVETEMP_BARO
  	AVETEMP_BARO {Real}
  	BAROSTAT TEMPERATURE average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVETEMP_QM
  	AVETEMP_QM {Real}
  	QM TEMPERATURE average in QMMM runs  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVEVOL
  	AVEVOL {Real}
  	VOLUME average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVE_COLVARS
  	AVE_COLVARS {Real} ...
  	COLVARS averages  [Edit on GitHub]
  	This keyword cannot be repeated and it expects a list of reals.

  AVE_ECONS
  	AVE_ECONS {Real}
  	CONSTANT ENERGY average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVE_MMATRIX
  	AVE_MMATRIX {Real} ...
  	METRIC TENSOR averages  [Edit on GitHub]
  	This keyword cannot be repeated and it expects a list of reals.

  AVE_PRESS
  	AVE_PRESS {Real}
  	PRESSURE average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  AVE_PV_CNSTR
  	AVE_PV_CNSTR {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real}
  	PV CONSTRAINTS average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely 9 reals.

  AVE_PV_FOCK_4C
  	AVE_PV_FOCK_4C {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real}
  	PV XC average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely 9 reals.

  AVE_PV_KIN
  	AVE_PV_KIN {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real}
  	PV KINETIC average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely 9 reals.

  AVE_PV_TOT
  	AVE_PV_TOT {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real}
  	PV TOTAL average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely 9 reals.

  AVE_PV_VIR
  	AVE_PV_VIR {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real}
  	PV VIRIAL average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely 9 reals.

  AVE_PV_XC
  	AVE_PV_XC {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real}
  	PV XC average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely 9 reals.

  AVE_PXX
  	AVE_PXX {Real}
  	P_{XX} average  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one real.

  ITIMES_START
  	ITIMES_START {Integer}
  	TIME STEP starting the evaluation of averages  [Edit on GitHub]
  	This keyword cannot be repeated and it expects precisely one integer.