From e711b9ca7ac362fd17680d6f8fb79df3a26d268e Mon Sep 17 00:00:00 2001 From: Ricky Kendall Date: Tue, 22 Sep 1998 23:25:49 +0000 Subject: [PATCH] more updated information --- INSTALL | 17 +++++++++++++---- 1 file changed, 13 insertions(+), 4 deletions(-) diff --git a/INSTALL b/INSTALL index 96d9c08cc6..a01b83d68e 100644 --- a/INSTALL +++ b/INSTALL @@ -1,7 +1,7 @@ Guide to Installing NWChem ========================== - $Id: INSTALL,v 1.12 1998-09-22 23:09:06 d3e129 Exp $ + $Id: INSTALL,v 1.13 1998-09-22 23:24:45 d3e129 Exp $ DO THESE STEPS IN ORDER OR THE BUILD WILL FAIL @@ -62,19 +62,28 @@ modules. Choose one or more from Name Description - ----------------------------------------- + ------------------------------------------------- all Everything qm All quantum mechanics modules + argos MD only build + - - - - - - - - - - - - - - - - - - - - - - - - - + If you are familiar with building NWChem you + can be more selective with the modules you + really nead. If you are a novice at this then + use only one of the three above! + - - - - - - - - - - - - - - - - - - - - - - - - - ddscf RHF and UHF SCF energies nwdft DFT energies gradients SCF gradients dftgrad DFT gradients - stepper Geometry optimization + stepper Geometry optimization with stepper + driver Geometry optimization with driver moints 4-index rimp2 RI-MP2 ccsd CCSD & CCSD(T) property Properties analysis - ----------------------------------------- + ------------------------------------------------- + To configure to build everything use the command