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Commit Graph

21 Commits

Author SHA1 Message Date
v1j4y
e2a9f9d7bb Fixed bug in mo_vgl where ao_vgl was not given as dependency. #41 2021-10-25 18:45:06 +02:00
v1j4y
b8886fee28 Removed walk_num from local energy mo_vgl. #41 2021-10-19 11:37:46 +02:00
v1j4y
2cca7c00dd All functions look good. Need real tests. #41 2021-10-15 14:38:44 +02:00
v1j4y
4e877810da Initialize local energy. #41 2021-10-15 14:00:36 +02:00
v1j4y
fade372e02 Added missing provider calls for ee_pot and en_pot. #41 2021-10-15 13:48:48 +02:00
v1j4y
4167f2a1c1 Added tests for ee_pot and en_pot. #41 2021-10-15 13:05:50 +02:00
v1j4y
0928f9ea14 Moved en_pot to electron. #41 2021-10-15 12:44:37 +02:00
v1j4y
c3f0348f6a Fixed merge. #41 2021-10-14 17:27:25 +02:00
v1j4y
ed5ec3c729 Fixed ctx passing in e_pot. #41 2021-10-13 18:27:04 +02:00
v1j4y
a6e625016c Added provider to repulsion in e_pot. #41 2021-10-13 18:13:13 +02:00
v1j4y
ca61af7a3d Added providers for ee_pot and en_pot for e_pot. #41 2021-10-13 18:07:15 +02:00
v1j4y
7bf52f0e01 Fixed provider for potential energy. #41 2021-10-13 18:02:28 +02:00
v1j4y
dcc5f09724 Fixed provider for local_energy. #41 2021-10-13 17:56:33 +02:00
v1j4y
578bc43268 Fix tests for det_inv_matrix. #41 2021-10-13 16:44:19 +02:00
v1j4y
1efd6183d5 Fixed dimensions in tests. #41 2021-10-12 19:41:44 +02:00
v1j4y
7c58d89626 Implemented drift vector. #41 2021-10-11 21:40:54 +02:00
v1j4y
edc6e0a4f6 Added doc for the three energies. #41 2021-10-11 18:48:48 +02:00
v1j4y
1be1317210 Added local energy. #41 2021-10-11 18:39:18 +02:00
v1j4y
5e67d1a0a2 Done potential energy. #41 2021-10-11 17:47:19 +02:00
v1j4y
9d542238e3 Finished KE. #41 2021-10-11 17:37:25 +02:00
v1j4y
9722f09221 Add org file. #41 2021-10-11 16:12:14 +02:00