5 Commits

Author	SHA1	Message	Date
Lorenzo Paulatto	3796879853	latgen subroutin changed to latgen_lib subroutinw which does not stop on ... error (it returns zero, an error code and message) New wrapper routine "latgen" behaves exactly like the old "latgen" scan_ibrav modified added copyright note to powell	2020-05-19 12:06:36 +02:00
Lorenzo Paulatto	67cd466986	New f90 code to find ibrav and celldm, starting from arbitrary axis in ... input. The code requires a modified version of "latgen" which returns zero instead of crashing on error. Also, the tolerances of powell minimization have been tightened a bit.	2020-05-12 18:36:07 +02:00
Paolo Giannozzi	f9602374bb	My compiler doesn't like the obsolescent syntax of the newly added file	2020-03-27 09:54:29 +01:00
Lorenzo Paulatto (naquite)	cf5ec939ed	Removed tab	2020-03-26 17:07:49 +01:00
Lorenzo Paulatto (naquite)	3528779e88	New fitting procedure for ev.x using standard Powell minimization method (default in python minimize) instead of built-in "Very Stupid Minimization"	2020-03-26 15:29:03 +01:00