LCPQ/qmcchem
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qmcchem/src/types.F

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Added some .irp.f files
2015-12-19 03:29:52 +01:00
integer, parameter :: t_Brownian = 3
integer, parameter :: t_Langevin = 4
integer, parameter :: t_MTM = 5
integer, parameter :: t_Read = 6
integer, parameter :: t_VMC = 7
integer, parameter :: t_DMC = 8
Smaller time step errors - Implemented SRMC and DMC - Using (E_new+E_old)/2 in DMC weight reduces time step errors - Branching weight is present in E_loc accumulation - Introduces Error in Message.ml
2016-01-18 20:17:37 +01:00
integer, parameter :: t_SRMC = 9
Added Rousset FKMC algorithm
2016-03-17 15:51:45 +01:00
integer, parameter :: t_FKMC = 10
ZV energy
2016-05-02 21:19:36 +02:00
integer, parameter :: t_PDMC = 11
Added some .irp.f files
2015-12-19 03:29:52 +01:00
ZV energy
2016-05-02 21:19:36 +02:00
integer, parameter :: t_Simple = 21
integer, parameter :: t_None = 22
Integrated Jastrow Mu
2021-07-31 11:33:20 +02:00
integer, parameter :: t_Mu = 23
ZV energy
2016-05-02 21:19:36 +02:00
integer, parameter :: t_Core = 24
Added some .irp.f files
2015-12-19 03:29:52 +01:00
integer, parameter :: t_Stopped = 0
integer, parameter :: t_Queued = 1
integer, parameter :: t_Running = 2
integer, parameter :: t_Stopping = 3
ZV energy
2016-05-02 21:19:36 +02:00
character*(32) :: types(25) = &
(/ ' ', &
' ', &
'Brownian ', &
'Langevin ', &
' ', &
' ', &
'VMC ', &
'DMC ', &
'SRMC ', &
'FKMC ', &
'PDMC ', &
' ', &
' ', &
' ', &
' ', &
' ', &
' ', &
' ', &
' ', &
' ', &
'Simple ', &
'None ', &
Integrated Jastrow Mu
2021-07-31 11:33:20 +02:00
'Mu ', &
ZV energy
2016-05-02 21:19:36 +02:00
'Core ', &
' '/)
Added some .irp.f files
2015-12-19 03:29:52 +01:00
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