22 Commits

Author	SHA1	Message	Date
Anthony Scemama	520e4fc1c4	Merlin	2020-05-05 00:29:00 +02:00
Anthony Scemama	11151c997e	Introduced multipole integrals	2020-04-16 19:49:23 +02:00
Anthony Scemama	91a2ec1288	Introduced phantom types for Bohr/Angstrom	2019-06-18 14:29:57 +02:00
Anthony Scemama	26bcd62db4	Added small_core function	2018-07-04 18:08:38 +02:00
Anthony Scemama	f94a5ac268	Nuclei for T2	2018-06-29 16:04:40 +02:00
Anthony Scemama	f95d9740b6	Documentation	2018-03-03 22:13:14 +01:00
Anthony Scemama	ac3f079330	Working on Element.mli	2018-03-03 21:33:32 +01:00
Anthony Scemama	8918f49302	Documentation	2018-02-24 23:57:38 +01:00
Anthony Scemama	e1da54cd67	Working on documenation	2018-02-23 18:41:30 +01:00
Anthony Scemama	0455da3b46	Nuclear repulsion	2018-02-20 23:54:48 +01:00
Anthony Scemama	ade45cd49d	A lot of cleaning	2018-02-13 17:36:25 +01:00
Anthony Scemama	bc5587c8f0	Fixed xyz file reader	2018-02-11 18:12:58 +01:00
Anthony Scemama	730f6a9e3f	Introduces Simulation	2018-02-09 00:37:25 +01:00
Anthony Scemama	4a4809fc7e	Inserted overlap	2018-01-22 23:19:24 +01:00
Anthony Scemama	73c8e48731	Optimized ERIs	2018-01-19 03:14:06 +01:00
Anthony Scemama	e3e16bd5bd	Pretty printing	2018-01-18 17:39:10 +01:00
Anthony Scemama	72eb1ce5c3	Added Angstrom	2018-01-18 14:56:08 +01:00
Anthony Scemama	0687671098	Working on input	2018-01-18 00:21:05 +01:00
Anthony Scemama	dad44067f7	Reading both XYZ and Zmatrix	2018-01-17 15:56:57 +01:00
Anthony Scemama	e909bb9abb	Added many files for nuclei	2018-01-02 22:33:17 +01:00
Anthony Scemama	759fa6f097	Added mli files for Nuclei	2018-01-02 22:02:01 +01:00
Anthony Scemama	cfc59a256d	Added xyz file parser/lexer	2017-12-31 18:27:58 +01:00