6 Commits

Author	SHA1	Message	Date
Anthony Scemama	b6b9a85cb2	Added E_trial	2016-05-03 09:01:05 +02:00
Anthony Scemama	571df84d9d	ZV energy	2016-05-02 21:19:36 +02:00
Anthony Scemama	756f2ccea4	Added Rousset FKMC algorithm	2016-03-17 15:56:24 +01:00
Anthony Scemama	194b1f750c	Changed norm of MOs when the fitcusp is used	2016-03-17 15:41:47 +01:00
Anthony Scemama	c56c3ea851	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
Anthony Scemama	ea185b405f	Added some .irp.f files	2015-12-19 03:29:52 +01:00