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1D RISM	Last updated 2022-12-09 03:04:53 -05:00
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Aba2	Last updated 2018-03-21 13:20:21 -04:00
Abm2	Last updated 2018-03-21 13:20:11 -04:00
Ama2	Last updated 2018-03-21 13:20:16 -04:00
Amm2	Last updated 2018-03-21 13:20:06 -04:00
Analysis	Last updated 2022-11-01 19:01:34 -04:00
Archived Forum	Last updated 2023-08-01 13:25:05 -04:00
ARMCI	Last updated 2026-06-18 14:07:19 -04:00
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Basis	Last updated 2026-04-30 19:16:15 -04:00
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Bq	Last updated 2025-09-25 20:08:08 -04:00
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C2	Last updated 2018-03-21 13:17:03 -04:00
C2Sc	Last updated 2020-10-12 15:39:54 -04:00
C2Sm	Last updated 2020-10-12 15:39:54 -04:00
C222	Last updated 2018-03-21 13:18:39 -04:00
C222_1	Last updated 2018-03-21 13:18:34 -04:00
Capabilities	Last updated 2022-12-14 14:42:46 -05:00
Cartesian coordinate input	Last updated 2022-05-24 20:43:16 -04:00
Cc	Last updated 2018-03-21 13:18:02 -04:00
Ccc2	Last updated 2018-03-21 13:20:00 -04:00
Ccca	Last updated 2020-04-23 18:51:30 -04:00
CCCA_method	Last updated 2023-01-16 16:45:51 -05:00
Cccm	Last updated 2018-03-21 13:22:34 -04:00
CCSD	Last updated 2025-06-05 17:54:08 -04:00
Charge	Last updated 2021-03-24 13:02:09 -04:00
Citation	Last updated 2020-05-15 15:04:41 -04:00
Classical Methods	Last updated 2020-06-04 02:47:05 -04:00
Cm	Last updated 2018-03-21 13:17:57 -04:00
Cmc2_1	Last updated 2018-03-21 13:19:55 -04:00
Cmca	Last updated 2018-03-21 13:22:23 -04:00
Cmcm	Last updated 2018-03-21 13:22:18 -04:00
Cmm2	Last updated 2018-03-21 13:19:51 -04:00
Cmma	Last updated 2018-03-21 13:22:38 -04:00
Cmmm	Last updated 2018-03-21 13:22:29 -04:00
Compiling NWChem	Last updated 2025-11-06 18:31:27 -05:00
Constraints	Last updated 2025-06-05 14:43:29 -04:00
Containers	Last updated 2026-06-22 13:49:52 -04:00
Current_events	Last updated 2024-06-07 14:22:43 -04:00
Density Functional Theory for Molecules	Last updated 2026-07-09 15:17:21 -04:00
Developer	Last updated 2022-03-02 20:22:16 -05:00
Developer_Team	Last updated 2025-06-18 19:29:27 -04:00
DNTMC	Last updated 2024-06-27 14:54:30 -04:00
Download	Last updated 2023-06-29 16:52:15 -04:00
DPLOT	Last updated 2022-12-09 14:58:39 -05:00
ECCE_PRINT	Last updated 2025-06-18 16:57:48 -04:00
ECHO	Last updated 2017-12-15 15:18:50 -05:00
ECP	Last updated 2025-06-17 19:38:48 -04:00
Electron Transfer	Last updated 2022-12-08 19:32:25 -05:00
Electronic Structure Analysis	Last updated 2020-06-04 02:47:05 -04:00
EMSL_Arrows	Last updated 2023-06-28 13:59:41 -04:00
EPR pNMR	Last updated 2025-12-18 22:17:39 -05:00
ESP	Last updated 2022-12-09 14:58:39 -05:00
Examples	Last updated 2022-05-24 21:45:01 -04:00
Excited State Calculations	Last updated 2023-03-17 22:47:35 -04:00
F 43c	Last updated 2018-03-21 13:33:39 -04:00
F 43m	Last updated 2018-03-21 13:33:24 -04:00
F4_132	Last updated 2018-03-21 13:32:54 -04:00
F23	Last updated 2018-03-21 13:31:43 -04:00
F222	Last updated 2018-03-21 13:18:44 -04:00
F432	Last updated 2018-03-21 13:32:49 -04:00
FAQ	Last updated 2026-06-18 13:40:03 -04:00
FCIDUMP	Last updated 2024-06-07 14:02:23 -04:00
Fd 3	Last updated 2018-03-21 13:32:19 -04:00
Fd 3c	Last updated 2018-03-21 13:34:26 -04:00
Fd 3m	Last updated 2018-03-21 13:34:21 -04:00
Fdd2	Last updated 2018-03-21 13:20:31 -04:00
Fddd	Last updated 2018-03-21 13:22:55 -04:00
Fm 3	Last updated 2018-03-21 13:32:14 -04:00
Fm 3c	Last updated 2018-03-21 13:34:16 -04:00
Fm 3m	Last updated 2018-03-21 13:34:11 -04:00
Fmm2	Last updated 2018-03-21 13:20:26 -04:00
Fmmm	Last updated 2018-03-21 13:22:50 -04:00
Format_of_MD_Files	Last updated 2025-05-30 19:32:09 -04:00
Forum	Last updated 2022-03-01 22:29:49 -05:00
Forum_search	Last updated 2020-08-10 17:53:40 -04:00
Forum_search2	Last updated 2020-08-10 17:57:51 -04:00
Gaussian Basis AIMD	Last updated 2025-03-24 14:03:19 -04:00
Geometry examples	Last updated 2022-05-27 14:56:24 -04:00
Geometry load	Last updated 2020-08-18 20:48:52 -04:00
Geometry Optimization	Last updated 2025-08-15 22:23:54 -04:00
Geometry	Last updated 2023-07-28 16:39:44 -04:00
Getting Started	Last updated 2023-03-21 20:54:29 -04:00
Guidelines for Authors	Last updated 2022-03-03 16:15:35 -05:00
GW	Last updated 2025-09-11 19:18:36 -04:00
Hartree Fock Theory for Molecules	Last updated 2022-12-09 02:33:25 -05:00
Hessians and Vibrational Frequencies	Last updated 2025-06-05 14:32:28 -04:00
Home	Last updated 2023-06-29 23:10:33 -04:00
Hybrid Approaches	Last updated 2022-03-03 12:20:06 -05:00
I 4	Last updated 2018-03-21 13:24:00 -04:00
I 4c2	Last updated 2018-03-21 13:26:55 -04:00
I 4m2	Last updated 2018-03-21 13:26:50 -04:00
I 42d	Last updated 2018-03-21 13:27:05 -04:00
I 42m	Last updated 2018-03-21 13:27:00 -04:00
I 43d	Last updated 2018-03-21 13:33:45 -04:00
I 43m	Last updated 2018-03-21 13:33:29 -04:00
I2_12_12_1	Last updated 2018-03-21 13:18:55 -04:00
I2_13	Last updated 2018-03-21 13:31:58 -04:00
I4	Last updated 2018-03-21 13:23:44 -04:00
I4_1	Last updated 2018-03-21 13:23:49 -04:00
I4_1cd	Last updated 2018-03-21 13:26:03 -04:00
I4_1md	Last updated 2018-03-21 13:25:58 -04:00
I4_1Sa	Last updated 2020-10-13 20:43:07 -04:00
I4_1Sacd	Last updated 2020-10-13 20:43:07 -04:00
I4_122	Last updated 2018-03-21 13:24:59 -04:00
I4_132	Last updated 2018-03-21 13:33:14 -04:00
I4cm	Last updated 2018-03-21 13:25:53 -04:00
I4mm	Last updated 2018-03-21 13:25:48 -04:00
I4Sm	Last updated 2020-10-13 20:43:07 -04:00
I4Smcm	Last updated 2020-10-13 20:43:07 -04:00
I4Smmm	Last updated 2020-10-13 20:44:16 -04:00
I23	Last updated 2018-03-21 13:31:48 -04:00
I222	Last updated 2018-03-21 13:18:49 -04:00
I422	Last updated 2018-03-21 13:24:54 -04:00
I432	Last updated 2018-03-21 13:32:59 -04:00
Ia 3	Last updated 2018-03-21 13:32:34 -04:00
Ia 3d	Last updated 2018-03-21 13:34:37 -04:00
Iba2	Last updated 2018-03-21 13:20:42 -04:00
Ibam	Last updated 2018-03-21 13:23:06 -04:00
Ibca	Last updated 2018-03-21 13:23:11 -04:00
Im 3	Last updated 2018-03-21 13:32:23 -04:00
Im 3m	Last updated 2018-03-21 13:34:31 -04:00
Ima2	Last updated 2018-03-21 13:20:47 -04:00
Imm2	Last updated 2018-03-21 13:20:36 -04:00
Imma	Last updated 2018-03-21 13:23:17 -04:00
Immm	Last updated 2018-03-21 13:23:01 -04:00
index	Last updated 2026-06-18 15:13:08 -04:00
Interface	Last updated 2022-03-02 20:16:06 -05:00
Interfaces with External Software	Last updated 2025-03-17 14:45:45 -04:00
Introduction	Last updated 2022-03-03 14:07:11 -05:00
Keywords for the GEOMETRY directive	Last updated 2026-06-17 13:37:53 -04:00
Known Bugs	Last updated 2026-06-17 18:25:48 -04:00
MD	Last updated 2024-06-07 14:22:43 -04:00
Memory	Last updated 2021-02-15 17:57:57 -05:00
mepgs	Last updated 2020-11-19 22:00:49 -05:00
MM_Parameters	Last updated 2020-06-04 02:47:05 -04:00
MP2	Last updated 2025-06-05 17:21:04 -04:00
Multiconfiguration_SCF	Last updated 2025-06-05 17:59:38 -04:00
Names of 3 dimensional space groups	Last updated 2020-10-12 15:50:19 -04:00
Nudged Elastic Band and Zero Temperature String Methods	Last updated 2025-08-26 13:37:17 -04:00
NWChem Architecture	Last updated 2022-12-09 15:14:34 -05:00
Ongoing_Projects	Last updated 2023-02-09 18:25:52 -05:00
ONIOM	Last updated 2025-09-25 21:06:36 -04:00
Other Capabilities	Last updated 2022-03-03 12:20:06 -05:00
Overview	Last updated 2022-03-03 14:28:53 -05:00
P 1	Last updated 2018-03-21 13:12:50 -04:00
P 3	Last updated 2018-03-21 13:27:51 -04:00
P 3c1	Last updated 2018-03-21 13:29:23 -04:00
P 3m1	Last updated 2018-03-21 13:29:18 -04:00
P 4	Last updated 2018-03-21 13:23:55 -04:00
P 4b2	Last updated 2018-03-21 13:26:39 -04:00
P 4c2	Last updated 2018-03-21 13:26:34 -04:00
P 4m2	Last updated 2018-03-21 13:26:29 -04:00
P 4n2	Last updated 2018-03-21 13:26:45 -04:00
P 6	Last updated 2018-03-21 13:30:15 -04:00
P 6c2	Last updated 2018-03-21 13:31:17 -04:00
P 6m2	Last updated 2018-03-21 13:31:12 -04:00
P 31c	Last updated 2018-03-21 13:29:13 -04:00
P 31m	Last updated 2018-03-21 13:29:08 -04:00
P 42_1c	Last updated 2018-03-21 13:26:24 -04:00
P 42_1m	Last updated 2018-03-21 13:26:19 -04:00
P 42c	Last updated 2018-03-21 13:26:14 -04:00
P 42m	Last updated 2018-03-21 13:26:09 -04:00
P 43m	Last updated 2018-03-21 13:33:19 -04:00
P 43n	Last updated 2018-03-21 13:33:34 -04:00
P 62c	Last updated 2018-03-21 13:31:28 -04:00
P 62m	Last updated 2018-03-21 13:31:22 -04:00
P1	Last updated 2018-03-21 13:05:05 -04:00
P2	Last updated 2018-03-21 13:13:18 -04:00
P2_1	Last updated 2018-03-21 13:16:58 -04:00
P2_1Sc	Last updated 2020-10-12 15:38:08 -04:00
P2_1Sm	Last updated 2020-10-12 15:38:08 -04:00
P2_12_12	Last updated 2018-03-21 13:18:24 -04:00
P2_12_12_1	Last updated 2018-03-21 13:18:29 -04:00
P2_13	Last updated 2018-03-21 13:31:53 -04:00
P2Sc	Last updated 2020-10-12 15:38:08 -04:00
P2Sm	Last updated 2020-10-12 15:38:08 -04:00
P3	Last updated 2018-03-21 13:27:31 -04:00
P3_1	Last updated 2018-03-21 13:27:36 -04:00
P3_2	Last updated 2018-03-21 13:27:41 -04:00
P3_112	Last updated 2018-03-21 13:28:11 -04:00
P3_121	Last updated 2018-03-21 13:28:16 -04:00
P3_212	Last updated 2018-03-21 13:28:22 -04:00
P3_221	Last updated 2018-03-21 13:28:27 -04:00
P3c1	Last updated 2018-03-21 13:28:48 -04:00
P3m1	Last updated 2018-03-21 13:28:37 -04:00
P4	Last updated 2018-03-21 13:23:22 -04:00
P4_1	Last updated 2018-03-21 13:23:27 -04:00
P4_2	Last updated 2018-03-21 13:23:33 -04:00
P4_2bc	Last updated 2018-03-21 13:25:43 -04:00
P4_2cm	Last updated 2018-03-21 13:25:15 -04:00
P4_2mc	Last updated 2018-03-21 13:25:37 -04:00
P4_2nm	Last updated 2018-03-21 13:25:20 -04:00
P4_2Sm	Last updated 2020-10-12 15:39:54 -04:00
P4_2Smbc	Last updated 2020-10-12 15:39:54 -04:00
P4_2Smcm	Last updated 2020-10-12 15:39:54 -04:00
P4_2Smmc	Last updated 2020-10-12 15:39:54 -04:00
P4_2Smnm	Last updated 2020-10-12 15:39:54 -04:00
P4_2Sn	Last updated 2020-10-12 15:39:54 -04:00
P4_2Snbc	Last updated 2020-10-12 15:39:54 -04:00
P4_2Sncm	Last updated 2020-10-12 15:39:54 -04:00
P4_2Snmc	Last updated 2020-10-12 15:39:54 -04:00
P4_2Snnm	Last updated 2020-10-12 15:39:54 -04:00
P4_3	Last updated 2018-03-21 13:23:38 -04:00
P4_12_12	Last updated 2018-03-21 13:24:27 -04:00
P4_22_12	Last updated 2018-03-21 13:24:37 -04:00
P4_32_12	Last updated 2018-03-21 13:24:48 -04:00
P4_122	Last updated 2018-03-21 13:24:22 -04:00
P4_132	Last updated 2018-03-21 13:33:09 -04:00
P4_222	Last updated 2018-03-21 13:24:32 -04:00
P4_232	Last updated 2018-03-21 13:32:44 -04:00
P4_322	Last updated 2018-03-21 13:24:43 -04:00
P4_332	Last updated 2018-03-21 13:33:04 -04:00
P4bm	Last updated 2018-03-21 13:25:10 -04:00
P4cc	Last updated 2018-03-21 13:25:25 -04:00
P4mm	Last updated 2018-03-21 13:25:04 -04:00
P4nc	Last updated 2018-03-21 13:25:31 -04:00
P4Sm	Last updated 2020-10-12 15:39:54 -04:00
P4Smbm	Last updated 2020-10-12 15:39:54 -04:00
P4Smcc	Last updated 2020-10-12 15:39:54 -04:00
P4Smmm	Last updated 2020-10-12 15:39:54 -04:00
P4Smnc	Last updated 2020-10-12 15:39:54 -04:00
P4Sn	Last updated 2020-10-12 15:39:54 -04:00
P4Snbm	Last updated 2020-10-12 15:39:54 -04:00
P4Sncc	Last updated 2020-10-12 15:39:54 -04:00
P4Snmm	Last updated 2020-10-12 15:39:54 -04:00
P4Snnc	Last updated 2020-10-12 15:39:54 -04:00
P6	Last updated 2018-03-21 13:29:44 -04:00
P6_1	Last updated 2018-03-21 13:29:49 -04:00
P6_2	Last updated 2018-03-21 13:29:59 -04:00
P6_3	Last updated 2018-03-21 13:30:10 -04:00
P6_3cm	Last updated 2018-03-21 13:31:02 -04:00
P6_3mc	Last updated 2018-03-21 13:31:07 -04:00
P6_3Sm	Last updated 2020-10-12 15:39:54 -04:00
P6_3Smcm	Last updated 2020-10-12 15:39:54 -04:00
P6_3Smmc	Last updated 2020-10-12 15:39:54 -04:00
P6_4	Last updated 2018-03-21 13:30:04 -04:00
P6_5	Last updated 2018-03-21 13:29:54 -04:00
P6_122	Last updated 2018-03-21 13:30:27 -04:00
P6_222	Last updated 2018-03-21 13:30:36 -04:00
P6_322	Last updated 2018-03-21 13:30:47 -04:00
P6_422	Last updated 2018-03-21 13:30:41 -04:00
P6_522	Last updated 2018-03-21 13:30:32 -04:00
P6cc	Last updated 2018-03-21 13:30:57 -04:00
P6mm	Last updated 2018-03-21 13:30:52 -04:00
P6Sm	Last updated 2020-10-12 15:39:54 -04:00
P6Smcc	Last updated 2020-10-12 15:39:54 -04:00
P6Smmm	Last updated 2020-10-12 15:39:54 -04:00
P23	Last updated 2018-03-21 13:31:38 -04:00
P31c	Last updated 2018-03-21 13:28:53 -04:00
P31m	Last updated 2018-03-21 13:28:42 -04:00
P42_12	Last updated 2018-03-21 13:24:16 -04:00
P222	Last updated 2018-03-21 13:18:13 -04:00
P222_1	Last updated 2018-03-21 13:18:18 -04:00
P312	Last updated 2018-03-21 13:28:01 -04:00
P321	Last updated 2018-03-21 13:28:06 -04:00
P422	Last updated 2018-03-21 13:24:11 -04:00
P432	Last updated 2018-03-21 13:32:39 -04:00
P622	Last updated 2018-03-21 13:30:22 -04:00
Pa 3	Last updated 2018-03-21 13:32:29 -04:00
Pba2	Last updated 2018-03-21 13:19:35 -04:00
Pbam	Last updated 2018-03-21 13:21:35 -04:00
Pban	Last updated 2018-03-21 13:21:07 -04:00
Pbca	Last updated 2018-03-21 13:22:07 -04:00
Pbcm	Last updated 2018-03-21 13:21:46 -04:00
Pbcn	Last updated 2018-03-21 13:22:02 -04:00
Pc	Last updated 2018-03-21 13:17:52 -04:00
Pca2_1	Last updated 2018-03-21 13:19:20 -04:00
Pcc2	Last updated 2018-03-21 13:19:09 -04:00
Pcca	Last updated 2018-03-21 13:21:30 -04:00
Pccm	Last updated 2018-03-21 13:21:02 -04:00
Pccn	Last updated 2018-03-21 13:21:41 -04:00
PDF	Last updated 2022-12-13 00:18:01 -05:00
Permanent_Dir	Last updated 2022-05-24 20:38:26 -04:00
Plane Wave Density Functional Theory	Last updated 2025-05-30 19:39:24 -04:00
Pm 3	Last updated 2018-03-21 13:32:04 -04:00
Pm 3m	Last updated 2018-03-21 13:33:50 -04:00
Pm 3n	Last updated 2018-03-21 13:34:01 -04:00
Pm	Last updated 2018-03-21 13:17:47 -04:00
Pma2	Last updated 2018-03-21 13:19:15 -04:00
Pmc2_1	Last updated 2018-03-21 13:19:04 -04:00
Pmm2	Last updated 2018-03-21 13:19:00 -04:00
Pmma	Last updated 2018-03-21 13:21:13 -04:00
Pmmm	Last updated 2018-03-21 13:20:52 -04:00
Pmmn	Last updated 2018-03-21 13:21:57 -04:00
Pmn2_1	Last updated 2018-03-21 13:19:30 -04:00
Pmna	Last updated 2018-03-21 13:21:25 -04:00
Pn 3	Last updated 2018-03-21 13:32:08 -04:00
Pn 3m	Last updated 2018-03-21 13:34:06 -04:00
Pn 3n	Last updated 2018-03-21 13:33:55 -04:00
Pna2_1	Last updated 2018-03-21 13:19:40 -04:00
Pnc2	Last updated 2018-03-21 13:19:25 -04:00
Pnma	Last updated 2018-03-21 13:22:12 -04:00
Pnn2	Last updated 2018-03-21 13:19:46 -04:00
Pnna	Last updated 2018-03-21 13:21:19 -04:00
Pnnm	Last updated 2018-03-21 13:21:52 -04:00
Pnnn	Last updated 2018-03-21 13:20:57 -04:00
Potential Energy Surface Analysis	Last updated 2022-03-08 21:51:57 -05:00
Prepare	Last updated 2025-05-30 19:25:45 -04:00
Print_Noprint	Last updated 2018-10-08 13:39:55 -04:00
projects	Last updated 2020-06-22 18:31:21 -04:00
Properties	Last updated 2026-06-17 16:42:32 -04:00
Python	Last updated 2025-06-06 21:58:36 -04:00
QM_Parameters	Last updated 2017-12-15 15:40:11 -05:00
QMMM	Last updated 2023-01-16 20:21:09 -05:00
QMMM_Appendix	Last updated 2025-06-18 16:52:03 -04:00
qmmm_bq_zone	Last updated 2020-08-25 22:05:07 -04:00
Qmmm_convergence	Last updated 2019-01-10 16:00:13 -05:00
Qmmm_density	Last updated 2019-01-10 16:01:16 -05:00
QMMM_Dynamics	Last updated 2022-07-27 15:17:06 -04:00
qmmm_eref	Last updated 2020-11-23 13:39:13 -05:00
QMMM_ESP	Last updated 2020-10-19 19:48:46 -04:00
qmmm_example3	Last updated 2020-08-25 22:04:34 -04:00
qmmm_example6	Last updated 2020-11-23 15:42:08 -05:00
qmmm_example7	Last updated 2020-11-23 15:33:11 -05:00
QMMM_Excited_States	Last updated 2020-06-04 02:47:05 -04:00
QMMM_FEP_Example	Last updated 2020-10-19 19:48:46 -04:00
QMMM_Free_Energy	Last updated 2025-06-05 18:03:10 -04:00
Qmmm_freq	Last updated 2022-12-12 15:51:01 -05:00
QMMM_Input_File	Last updated 2020-11-23 15:34:37 -05:00
qmmm_introduction	Last updated 2022-12-12 15:51:01 -05:00
qmmm_link_atoms	Last updated 2023-01-16 17:30:07 -05:00
qmmm_link_ecp	Last updated 2023-01-16 17:30:07 -05:00
qmmm_load	Last updated 2020-11-23 15:30:30 -05:00
Qmmm_maxiter	Last updated 2019-01-10 16:02:01 -05:00
qmmm_method	Last updated 2020-11-23 15:55:32 -05:00
qmmm_mm_charges	Last updated 2020-08-25 22:05:07 -04:00
QMMM_MM_Parameters	Last updated 2020-11-23 15:42:08 -05:00
Qmmm_ncycles	Last updated 2019-01-10 16:02:43 -05:00
Qmmm_NEB_Calculations	Last updated 2024-06-07 13:51:49 -04:00
Qmmm_nsamples	Last updated 2020-10-19 18:37:48 -04:00
Qmmm_optimization	Last updated 2020-06-04 02:47:05 -04:00
QMMM_Parameters	Last updated 2023-01-16 20:21:09 -05:00
Qmmm_preparation_basic	Last updated 2020-10-19 19:48:46 -04:00
Qmmm_preparation_constraints	Last updated 2020-08-25 23:06:01 -04:00
QMMM_Preparation_Prerequisites	Last updated 2022-12-09 14:32:24 -05:00
Qmmm_preparation_solvation	Last updated 2025-03-14 19:04:55 -04:00
QMMM_QM_Parameters	Last updated 2020-11-23 13:40:05 -05:00
QMMM_QMMM_Parameters	Last updated 2024-01-05 18:44:00 -05:00
QMMM_References	Last updated 2023-01-16 20:30:24 -05:00
Qmmm_region	Last updated 2020-06-04 02:47:05 -04:00
Qmmm_rename	Last updated 2020-08-25 23:06:01 -04:00
QMMM_Restart_and_Topology_Files	Last updated 2025-03-14 18:57:45 -04:00
qmmm_sp_energy	Last updated 2022-12-12 15:51:01 -05:00
qmmm_sp_property	Last updated 2022-12-12 15:51:01 -05:00
QMMM_Transition_States	Last updated 2020-06-04 02:47:05 -04:00
Qmmm_xyz	Last updated 2019-01-10 16:00:13 -05:00
Quantum Mechanical Methods	Last updated 2022-03-03 12:20:06 -05:00
Quantum Molecular Dynamics	Last updated 2022-03-03 12:20:06 -05:00
Quantum	Last updated 2022-01-03 12:50:57 -05:00
R 3	Last updated 2018-03-21 13:27:56 -04:00
R 3c	Last updated 2018-03-21 13:29:33 -04:00
R 3m	Last updated 2018-03-21 13:29:28 -04:00
R3	Last updated 2018-03-21 13:27:46 -04:00
R3c	Last updated 2018-03-21 13:29:03 -04:00
R3m	Last updated 2018-03-21 13:28:58 -04:00
R32	Last updated 2018-03-21 13:28:32 -04:00
Relativistic All electron Approximations	Last updated 2026-01-26 15:38:14 -05:00
RT TDDFT	Last updated 2022-07-18 12:33:04 -04:00
Running	Last updated 2022-03-03 14:28:53 -05:00
Sample	Last updated 2020-06-04 02:47:05 -04:00
Scratch_Dir	Last updated 2018-02-28 20:06:17 -05:00
SELCI	Last updated 2022-12-18 20:48:21 -05:00
SET	Last updated 2022-03-02 20:12:34 -05:00
Software supporting NWChem	Last updated 2026-03-26 13:17:17 -04:00
Solvation Models	Last updated 2026-01-13 13:11:10 -05:00
Start_Restart	Last updated 2022-05-24 20:26:17 -04:00
STOP	Last updated 2017-12-15 15:20:28 -05:00
Supplementary Information	Last updated 2026-06-18 13:40:03 -04:00
SYMMETRY Symmetry Group Input	Last updated 2023-07-28 17:07:08 -04:00
SYSTEM Lattice parameters for periodic systems	Last updated 2022-05-24 21:45:01 -04:00
System Description	Last updated 2020-06-04 02:47:05 -04:00
TASK	Last updated 2022-03-01 22:14:31 -05:00
TCE	Last updated 2025-08-15 19:59:23 -04:00
TITLE	Last updated 2020-06-04 02:47:05 -04:00
Top level	Last updated 2022-12-14 14:42:46 -05:00
tropt	Last updated 2024-06-07 14:22:43 -04:00
Tutorial Athens2018	Last updated 2025-06-18 18:13:06 -04:00
Tutorial Slides	Last updated 2020-06-04 02:47:05 -04:00
Tutorials	Last updated 2025-06-18 18:43:26 -04:00
UNSET	Last updated 2024-07-17 00:44:16 -04:00
VEM Model	Last updated 2024-06-07 14:22:43 -04:00
Vibration	Last updated 2024-06-18 14:00:27 -04:00
VSCF	Last updated 2025-07-18 11:58:48 -04:00
XTB	Last updated 2024-08-26 10:16:31 -04:00
ZCOORD Forcing internal coordinates	Last updated 2023-07-28 18:40:26 -04:00
ZMATRIX Z matrix input	Last updated 2024-06-07 14:22:43 -04:00
ZMATRIX	Last updated 2024-06-07 14:22:43 -04:00