Vasp 5.4.1 parenthesis error in vdwforcefield.F
Posted: Mon Jul 06, 2015 1:16 pm
Hello,
There is an error with parenthesis in vdwforcefield.F file.
Here's the patch (I was not allowed to attach .txt or .patch):
--- vdwforcefield.F.orig 2015-07-06 13:11:32.153395733 +0200
+++ vdwforcefield.F 2015-07-06 13:11:42.323395912 +0200
@@ -9934,7 +9934,7 @@
DO ny=1,GRIDC%NGY
DO nx=1,GRIDC%NGX
NC=NC+1
- IF (REAL(CWORK1(NC))>1e-8 .AND. REAL(CWORK2(NC)))>1e-8) THEN
+ IF (REAL(CWORK1(NC))>1e-8 .AND. REAL(CWORK2(NC))>1e-8) THEN
RDUM=REAL(CWORK2(NC)/CWORK1(NC))
CALL rel_vol_plane3(T_INFO,LATT_CUR,RDUM,WDF(indx)%R%NMAX,WDF(indx)%RHO,WDF(indx)%R%R,&
& PP%R%H, DYN%POSION(:,i),&
Pawel Lesniak
There is an error with parenthesis in vdwforcefield.F file.
Here's the patch (I was not allowed to attach .txt or .patch):
--- vdwforcefield.F.orig 2015-07-06 13:11:32.153395733 +0200
+++ vdwforcefield.F 2015-07-06 13:11:42.323395912 +0200
@@ -9934,7 +9934,7 @@
DO ny=1,GRIDC%NGY
DO nx=1,GRIDC%NGX
NC=NC+1
- IF (REAL(CWORK1(NC))>1e-8 .AND. REAL(CWORK2(NC)))>1e-8) THEN
+ IF (REAL(CWORK1(NC))>1e-8 .AND. REAL(CWORK2(NC))>1e-8) THEN
RDUM=REAL(CWORK2(NC)/CWORK1(NC))
CALL rel_vol_plane3(T_INFO,LATT_CUR,RDUM,WDF(indx)%R%NMAX,WDF(indx)%RHO,WDF(indx)%R%R,&
& PP%R%H, DYN%POSION(:,i),&
Pawel Lesniak