11 Commits

Author	SHA1	Message	Date
M. Chandler Bennett	f3f3046563	Correcting spin-multiplicity	2018-06-12 09:30:37 -04:00
Anthony Scemama	279c225f3b	Fix broken QMCPack pseudo (#219) ... * Fixes #211 * Removed debug print * Revert input coordinates * Fix MPI * Multi-state modification for qmcpack * Removed useless file * Fixed QMCPack pseudo bug	2017-12-19 23:14:03 +01:00
Anthony Scemama	e70bf2800e	Multi-state in qmcpack (#218) ... * Fixes #211 * Removed debug print * Revert input coordinates * Fix MPI * Multi-state modification for qmcpack * Removed useless file	2017-12-19 18:33:34 +01:00
Anthony Scemama	e77c7a5244	Increase precision in MOs for qmcpack	2017-07-19 23:35:00 +00:00
Anthony Scemama	23ab125883	Fixed QMCPACK interface	2017-07-15 18:06:20 +02:00
Thomas Applencourt	a8edfa0490	Update qp_convert_qmcpack_to_ezfio.py	2017-07-14 22:52:27 -05:00
Thomas Applencourt	68e9657a7a	Update qp_convert_qmcpack_to_ezfio.py	2017-07-14 22:47:55 -05:00
Thomas Applencourt	1a2e605d08	Update qp_convert_qmcpack_to_ezfio.py	2017-07-14 22:27:35 -05:00
Thomas Applencourt	8c341dde9e	Update qp_convert_qmcpack_to_ezfio.py	2017-07-14 20:09:13 -05:00
Thomas Applencourt	727b79bcab	Update qp_convert_qmcpack_to_ezfio.py	2017-07-14 19:20:10 -05:00
Anthony Scemama	f3b2bea214	Merged QMC modules (#208) ... * Fixed mmap * Truncated wf a la QMC=Chem * Merged QmcChem and qmcpack modules	2017-07-12 23:58:45 +02:00