From 605f3fda0edbf527f5bc25f7d65dcdb176f5d53a Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Thu, 24 Jun 2021 09:12:25 +0200 Subject: [PATCH] Increased the max number of atoms in phagen. --- src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc b/src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc index e4ace1e..2151d02 100644 --- a/src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc +++ b/src/msspec/phagen/fortran/phagen_2.2_dp/msxas3.inc @@ -1,7 +1,7 @@ c.. dimensions for the program integer ua_ - parameter ( nat_ = 1500, - $ ua_ = 1500, + parameter ( nat_ = 4000, + $ ua_ = 4000, $ neq_ = 48 ) C C where :